data_2cqn_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 2cqn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.91 98.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -66.96 -41.15 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 p -61.92 -45.83 91.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.76 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -62.52 -48.46 79.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -59.56 -46.38 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.0 t -61.86 -36.9 82.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.21 -40.81 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 774' ' ' PHE . 20.4 mt -66.66 -38.51 87.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -65.88 -36.02 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -86.81 11.81 12.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.7 164.67 24.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.445 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -149.04 124.05 4.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.478 0.656 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.71 169.93 60.72 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 -1.789 . . . . 0.0 112.351 -0.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.6 Cg_endo -69.79 127.63 14.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 32.0 mt -34.25 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.52 -178.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.61 -32.43 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.03 37.42 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.72 150.56 20.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 98.0 t -107.54 140.44 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.569 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -50.83 -53.23 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.456 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 20.8 mt-10 -66.16 -22.89 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.22 -19.77 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.572 HD13 ' CD1' ' A' ' 793' ' ' PHE . 16.0 pt -112.8 -16.51 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 6.2 ptm180 -65.09 -49.62 69.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 7.0 tt0 -54.76 -25.33 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -72.28 -33.65 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.497 ' CE2' HD23 ' A' ' 754' ' ' LEU . 14.9 m-85 -107.99 -5.5 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.7 t -58.26 -25.5 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -88.49 -8.53 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -85.69 154.02 58.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -37.37 9.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -56.86 -40.68 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.639 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.5 t80 -75.33 -46.0 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.93 -22.94 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.91 -33.92 76.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 8.9 mm -78.52 101.81 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 54.7 p -70.03 -45.5 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 118.29 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -61.57 -39.12 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 83.5 p -60.27 -34.49 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.94 -41.63 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.639 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.3 mtm180 -71.97 -35.38 69.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -68.25 -47.02 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 791' ' ' ARG . 3.0 tmt_? -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.21 -41.74 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.575 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 26.6 t80 -60.57 -45.39 94.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -44.89 89.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.43 -42.57 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.3 t80 -61.12 -38.13 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.575 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.0 mtp -65.79 -41.43 91.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.498 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.2 t60 -60.57 -45.01 95.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 10.9 t -66.82 -34.93 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.49 -45.3 94.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.4 pt-20 -66.5 -42.19 87.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.0 m-70 -71.27 -33.61 69.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -67.17 -39.1 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 745' ' ' ARG . 7.5 mtp-105 -66.43 -46.13 77.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.51 -45.72 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -62.26 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.8 t -62.11 -41.34 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.51 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 754' ' ' LEU . 44.3 t80 -64.35 -48.95 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -61.29 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 25.2 t -60.29 -40.83 91.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 33.1 ttp -63.04 -41.38 99.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 750' ' ' PHE . 58.6 mt -61.98 -40.87 97.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -66.83 -35.83 80.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -83.85 9.33 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -77.94 168.97 19.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.427 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -156.78 123.9 2.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.51 0.671 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.79 169.99 60.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.36 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.78 43.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 75.7 mt -45.99 105.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.68 -175.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.61 -27.23 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -110.25 35.89 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.34 143.43 26.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.422 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 82.8 t -98.36 142.09 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 6.3 t-105 -52.22 -53.06 48.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.456 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 32.0 mt-10 -64.55 -21.83 66.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . 0.422 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 80.5 m-20 -78.53 -25.32 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.516 HD12 ' CD1' ' A' ' 793' ' ' PHE . 18.0 pt -107.5 -16.39 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.524 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.6 ptm180 -64.94 -50.87 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.9 pt-20 -54.66 -24.62 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -70.12 -31.42 68.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' A' ' 754' ' ' LEU . 14.0 m-85 -110.87 -8.25 14.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.519 HG22 ' CZ ' ' A' ' 780' ' ' PHE . 2.5 t -52.4 -27.17 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -88.96 -16.38 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -77.93 153.41 80.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -37.61 9.04 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.425 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.09 72.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 2.0 t80 -76.2 -48.03 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.95 -22.59 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.08 -30.92 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 21.2 mm -82.81 101.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 34.2 p -72.2 -40.39 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.1 116.02 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.84 -35.54 76.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 77.7 p -62.16 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.31 -41.7 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.2 mtm180 -70.75 -35.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -67.88 -46.93 70.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -63.27 -45.07 93.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.13 -42.43 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.8 t80 -60.21 -43.57 95.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -60.99 -45.31 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -62.12 -43.05 99.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 2.4 t80 -60.88 -37.91 83.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -67.45 -38.09 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.486 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.4 t60 -62.09 -45.23 94.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.1 -34.95 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.2 -45.4 94.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.4 pt-20 -66.42 -42.23 88.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.412 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.6 m-70 -71.05 -33.61 70.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -68.34 -40.55 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -68.98 -47.57 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.84 -49.68 75.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.97 -40.58 80.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 48.5 t -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.18 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.423 ' CD1' HD12 ' A' ' 754' ' ' LEU . 43.0 t80 -65.14 -48.74 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -62.04 -42.11 98.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -60.77 -39.58 89.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 52.6 ttp -64.49 -44.16 91.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.423 HD12 ' CD1' ' A' ' 750' ' ' PHE . 65.5 mt -58.76 -42.29 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -68.27 -36.05 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.71 11.21 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.49 165.78 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.433 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.23 123.85 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.5 Cg_endo -69.69 169.88 60.9 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.34 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.24 14.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 94.9 mt -37.21 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.71 -178.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.2 mt -78.55 -23.57 46.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.08 28.68 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -85.17 141.84 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 69.7 t -104.75 146.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.56 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.38 -53.04 62.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 18.8 mt-10 -63.06 -22.13 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -78.26 -31.25 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.441 HD13 ' CE1' ' A' ' 793' ' ' PHE . 22.4 pt -98.13 -19.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -64.73 -35.97 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.81 -25.53 66.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -76.99 -29.96 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.92 -2.47 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 771' ' ' ARG . 6.7 p -40.47 -36.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 777' ' ' GLU . 15.8 mtpt -89.47 -40.8 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 776' ' ' LYS . 59.6 mm-40 -35.19 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -38.81 7.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.83 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -75.8 -41.46 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -64.58 -23.18 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.63 -37.35 76.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.449 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 6.4 mm -85.22 82.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 784' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -55.95 -37.34 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' A' ' 784' ' ' THR . 0.2 OUTLIER -79.1 116.34 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.412 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 0.1 OUTLIER -61.04 -35.02 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 92.9 p -59.94 -38.05 81.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 12.8 mt-10 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.502 ' HB3' ' CH2' ' A' ' 767' ' ' TRP . 25.1 mtt85 -69.04 -36.23 77.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . 0.405 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 7.1 ttmt -67.28 -46.67 72.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -62.27 -46.45 88.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.98 -41.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 53.5 t80 -60.27 -43.94 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -60.49 -45.18 94.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -63.74 -41.31 98.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 2.9 t80 -61.15 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.5 mtp -65.37 -39.83 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.0 t60 -60.3 -44.94 94.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 11.1 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.25 -45.44 94.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.1 pt-20 -66.42 -42.53 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -70.94 -33.62 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 20.8 ptt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -70.56 -45.17 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -70.14 -41.32 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -65.93 -48.43 71.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.43 -43.48 88.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 28.8 p -62.17 -46.27 89.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.31 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' A' ' 754' ' ' LEU . 40.7 t80 -64.01 -48.97 74.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -61.95 -40.63 96.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.3 m -61.36 -42.63 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 57.0 ttp -61.9 -44.17 97.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.537 HD13 ' CD2' ' A' ' 750' ' ' PHE . 33.0 mt -61.41 -36.02 79.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.53 -27.26 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -91.22 -7.92 49.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -61.78 143.52 56.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.453 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.74 124.67 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.76 169.94 60.93 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.389 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.04 32.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 64.3 mt -44.8 105.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.81 -175.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 38.1 mt -85.97 -16.85 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -112.26 28.93 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.59 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.28 144.07 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.557 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.4 t-105 -53.79 -53.04 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 13.1 mt-10 -64.0 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.65 -26.65 50.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 793' ' ' PHE . 18.7 pt -104.02 -19.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.3 ptm180 -64.94 -41.16 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -66.01 -28.32 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -74.02 -30.95 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 775' ' ' VAL . 6.4 m-85 -107.62 -5.57 17.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 771' ' ' ARG . 9.4 p -36.04 -46.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.469 ' N ' ' CG1' ' A' ' 775' ' ' VAL . 27.4 mmtt -74.18 -45.09 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.2 mm-40 -34.21 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -36.83 10.21 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.09 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 2.1 t80 -76.01 -48.75 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.61 -22.01 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.82 -37.1 81.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 13.0 mm -89.25 77.31 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -47.55 -38.29 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 784' ' ' THR . 0.2 OUTLIER -77.07 114.82 16.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.416 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 pt-20 -60.03 -35.93 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 78.6 p -60.12 -39.06 84.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 23.8 mm-40 -60.09 -39.74 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 29.0 mtt85 -70.09 -35.14 73.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -68.57 -46.95 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -59.62 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.04 -41.03 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 47.5 t80 -58.81 -44.06 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -61.79 -45.25 94.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.3 t80 -61.1 -39.48 90.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.4 mtp -65.38 -41.2 94.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.523 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.03 -45.04 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 11.6 t -66.84 -34.83 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.34 -45.46 94.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.7 pt-20 -66.43 -42.28 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.0 m-70 -71.12 -33.73 70.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 743' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 744' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.82 0.343 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 743' ' ' MET . 10.9 ttpt -67.54 -43.77 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.31 91.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -65.57 -50.56 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.75 -40.1 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 30.8 t -63.13 -42.46 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.87 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.54 -48.47 72.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -61.93 -42.92 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.3 t -61.82 -40.89 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 32.3 ttp -62.09 -42.55 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 796' ' ' PHE . 62.6 mt -62.3 -41.93 98.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -81.83 -9.27 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -58.03 157.84 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.405 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -147.98 122.02 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.488 0.661 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.2 Cg_endo -69.82 169.2 64.74 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.325 0.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 140.62 43.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.416 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.549 HD11 ' CE1' ' A' ' 796' ' ' PHE . 83.7 mt -42.45 105.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.8 -175.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.14 -30.1 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -108.46 32.67 4.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.57 151.1 22.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.66 139.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.559 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -51.0 -53.11 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.464 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.7 mm-40 -65.63 -21.85 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.46 -20.44 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 793' ' ' PHE . 19.3 pt -112.91 -14.69 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.8 ptm180 -65.13 -40.13 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.8 -22.65 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . 0.412 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 31.9 mtm180 -75.28 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -107.16 -6.68 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.7 t -57.75 -23.22 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -2.87 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.77 154.44 47.95 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.705 0.764 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -36.7 10.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.66 78.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 1.0 OUTLIER -76.13 -44.88 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.99 -23.44 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.88 -18.56 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.447 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 36.2 mm -100.85 77.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 784' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -53.76 -36.87 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.431 ' N ' HG23 ' A' ' 784' ' ' THR . 0.3 OUTLIER -76.97 108.45 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.413 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.9 pt-20 -56.53 -35.06 67.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 99.1 p -59.95 -36.67 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.2 -38.63 87.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.542 ' HD2' ' CE2' ' A' ' 780' ' ' PHE . 20.3 mtt85 -71.69 -35.89 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . 0.438 ' HE2' ' CD1' ' A' ' 767' ' ' TRP . 9.7 ttmt -67.51 -46.17 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.07 -46.91 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.2 -41.3 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 45.1 t80 -59.05 -44.34 91.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -61.27 -45.33 94.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.25 -40.83 94.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.549 ' CE1' HD11 ' A' ' 761' ' ' ILE . 3.4 t80 -60.99 -42.2 97.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.0 mtp -66.24 -38.16 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 6.7 t60 -61.53 -45.06 95.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 14.3 t -67.04 -34.87 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.32 -45.28 95.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.2 pt-20 -66.51 -42.25 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 29.7 m-70 -71.04 -33.55 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 803' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 743' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 744' ' ' LYS . 10.7 ptp . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 743' ' ' MET . 12.5 ptpt -62.33 -34.14 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -69.56 -42.88 73.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 15.5 mtmt -64.78 -48.09 75.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.03 -43.33 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 58.7 m -61.99 -39.37 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.67 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.71 -49.42 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -61.83 -42.86 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.6 m -61.11 -41.78 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 753' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 779' ' ' ALA . 41.8 ttp -59.89 -46.54 89.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 761' ' ' ILE . 12.2 mt -61.25 -36.02 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -66.24 -36.07 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.45 8.03 42.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -71.38 137.78 48.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.451 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -125.38 124.79 25.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.3 Cg_endo -69.82 169.77 61.95 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.3 0.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.45 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.405 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 27.3 mt -47.94 105.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -68.51 -175.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 16.9 mt -81.0 -21.82 39.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.61 21.75 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -80.0 139.79 36.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 767' ' ' TRP . 39.2 t -106.39 142.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.7 t-105 -52.21 -53.06 48.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.442 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.8 mt-10 -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . 0.408 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 5.9 t70 -78.56 -22.38 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 793' ' ' PHE . 15.5 pt -108.6 -20.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.8 ptm180 -63.23 -41.67 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.9 -31.8 71.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -71.38 -31.11 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 776' ' ' LYS . 11.1 m-85 -104.73 -6.35 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.569 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.0 p -37.71 -27.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 774' ' ' PHE . 14.9 mtpt -95.77 -45.11 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 776' ' ' LYS . 7.9 mm-40 -36.96 152.75 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 782' ' ' ASP . 54.1 Cg_endo -69.78 -34.32 14.75 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.464 ' HB3' ' CE ' ' A' ' 753' ' ' MET . . . -61.14 -44.92 96.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.581 ' CE2' ' NH1' ' A' ' 789' ' ' ARG . 3.0 t80 -70.45 -44.24 68.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.71 -21.8 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 778' ' ' PRO . 12.5 m-20 -68.93 -29.15 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 22.2 mm -101.47 91.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 8.0 p -63.68 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 788' ' ' GLU . 87.8 mt -71.84 98.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -51.31 -45.91 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 25.6 p -59.74 -41.73 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 785' ' ' LEU . 77.0 mm-40 -59.78 -36.4 76.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.581 ' NH1' ' CE2' ' A' ' 780' ' ' PHE . 46.5 mtm180 -72.14 -35.92 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -66.62 -47.01 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -63.21 -44.5 95.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.9 -40.88 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 15.8 t80 -62.61 -43.91 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -59.15 -45.36 91.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 3.6 t80 -60.93 -39.33 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 39.7 mtp -64.42 -41.1 96.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.75 -45.09 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.0 t -66.96 -34.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.28 -45.45 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.55 -42.36 87.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -71.05 -33.57 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -62.33 -43.71 98.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -41.82 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -61.77 -51.01 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.02 -43.65 86.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.3 t -62.1 -36.04 80.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.13 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -64.78 -49.11 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -64.3 -43.66 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -38.3 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 40.3 ttp -63.88 -46.56 84.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 761' ' ' ILE . 15.6 mt -61.8 -38.08 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -36.06 82.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -90.07 11.63 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.96 169.54 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.435 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -155.21 124.3 3.08 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.495 0.664 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.7 Cg_endo -69.73 169.97 60.63 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.784 -1.757 . . . . 0.0 112.314 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.3 Cg_endo -69.84 127.84 15.1 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 69.7 mt -34.84 105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -64.82 177.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.1 mt -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.78 31.32 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.38 143.13 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 767' ' ' TRP . 47.5 t -104.76 142.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.468 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -52.35 -53.04 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.427 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.5 mt-10 -64.85 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.79 -23.67 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 793' ' ' PHE . 22.5 pt -107.32 -18.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.6 ptm180 -64.89 -44.39 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 10.0 pt-20 -61.44 -27.46 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -74.51 -32.04 62.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -107.33 -2.55 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.527 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.8 p -40.51 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 777' ' ' GLU . 48.9 mttt -91.58 -41.04 11.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 776' ' ' LYS . 5.9 mm-40 -36.17 150.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.757 2.305 . . . . 0.0 112.28 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.66 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 2.5 t80 -75.46 -51.16 13.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.12 -22.38 66.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.58 -25.43 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 26.1 mm -102.05 117.38 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.7 p -88.59 -54.7 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 788' ' ' GLU . 0.6 OUTLIER -52.18 121.66 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -60.3 -40.21 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 787' ' ' SER . . . . . 0.468 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 0.7 OUTLIER -66.06 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.451 ' CG ' HD11 ' A' ' 785' ' ' LEU . 15.0 mm-40 -59.97 -42.32 93.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -72.1 -41.24 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -63.92 -46.99 82.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -60.45 -48.15 83.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.7 -41.01 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 38.2 t80 -60.89 -42.63 98.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.0 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.38 -41.07 93.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 3.1 t80 -63.08 -45.23 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.6 mtp -63.26 -41.36 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.504 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.2 t60 -59.73 -45.36 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.07 -34.44 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.99 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.0 pt-20 -66.5 -40.06 89.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.6 m-70 -72.43 -35.62 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.0 -40.14 94.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -66.99 -46.53 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 25.9 mttm -60.4 -47.82 84.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -59.02 -41.55 88.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -61.85 -45.48 93.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.99 72.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 783' ' ' ILE . 11.5 t80 -62.18 -49.16 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -64.48 -46.65 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.8 t -59.89 -36.98 78.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 753' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 12.0 tmm? -65.42 -42.98 91.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 774' ' ' PHE . 43.8 mt -59.58 -45.14 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -31.65 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -80.86 7.22 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.99 166.24 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.431 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.39 122.69 3.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.73 170.03 60.34 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.344 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 138.69 38.26 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 93.9 mt -46.08 105.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.6 -178.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.45 -20.44 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -104.92 24.68 11.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -88.04 141.94 28.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 88.7 t -104.64 147.17 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.565 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.1 t-105 -51.35 -48.25 62.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 27.2 mt-10 -68.86 -21.74 64.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.98 -18.03 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.574 ' CD1' ' CD1' ' A' ' 793' ' ' PHE . 14.9 pt -110.43 -20.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 775' ' ' VAL . 3.0 ptm180 -64.98 -43.65 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.1 tp10 -65.54 -21.64 66.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . 0.404 ' NH2' ' HD2' ' A' ' 759' ' ' PRO . 75.0 mtp180 -74.66 -32.29 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 753' ' ' MET . 10.7 m-85 -111.71 -8.21 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 780' ' ' PHE . 2.2 t -51.38 -25.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -20.13 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.72 155.42 93.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.385 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.01 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.568 ' CE2' HG22 ' A' ' 775' ' ' VAL . 1.7 t80 -76.04 -48.85 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -58.89 -21.96 58.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.38 -37.51 77.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 750' ' ' PHE . 25.4 mm -74.15 97.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 40.9 p -67.05 -48.04 69.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.99 116.68 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.06 -40.45 97.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 32.6 p -59.93 -33.88 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 788' ' ' GLU . 0.1 OUTLIER -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.547 ' HB3' ' CH2' ' A' ' 767' ' ' TRP . 12.3 mtp180 -68.37 -42.48 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -64.86 -47.04 79.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -65.29 -43.75 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -41.24 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.599 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 18.4 t80 -62.26 -45.42 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -57.8 -44.3 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.81 -40.45 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -61.19 -44.09 97.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -62.3 -40.61 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.51 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.0 t60 -59.69 -45.2 92.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 20.2 t -67.29 -34.78 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.32 -45.37 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.5 pt-20 -66.75 -42.16 86.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 26.2 m-70 -70.11 -33.67 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -65.88 -42.85 89.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.09 -44.89 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 15.9 mtpp -65.2 -46.55 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -58.95 -44.41 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.5 t -61.93 -44.89 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -65.32 -49.26 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -60.83 -42.31 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 4.9 m -59.71 -45.25 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -59.49 -42.92 93.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' A' ' 796' ' ' PHE . 78.7 mt -59.18 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . 0.481 ' HG2' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -67.49 -32.36 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -80.68 5.91 14.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -80.07 154.81 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.45 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -144.52 122.86 6.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.69 170.04 60.08 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.419 -0.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.56 33.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 800' ' ' LEU . 84.8 mt -38.24 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.83 158.49 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.17 27.0 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 157.46 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.97 141.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.571 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.0 t-105 -51.44 -53.03 41.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.33 -22.04 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 772' ' ' GLU . 26.9 t70 -80.16 -21.1 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.519 HD13 ' CD1' ' A' ' 793' ' ' PHE . 17.6 pt -110.06 -18.64 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.7 ptm180 -64.99 -46.32 81.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 5.3 pm0 -59.3 -24.75 63.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -75.82 -32.46 59.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.3 6.26 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' A' ' 780' ' ' PHE . 9.9 p -52.62 -15.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -37.55 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -40.4 154.22 0.2 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -39.08 7.07 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.26 82.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' A' ' 775' ' ' VAL . 28.0 t80 -74.26 -42.66 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -24.26 67.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.21 -42.1 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.494 ' O ' ' NE ' ' A' ' 789' ' ' ARG . 11.2 mm -81.45 101.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.3 p -76.65 -37.72 55.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.04 115.78 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.416 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 30.5 tt0 -57.82 -41.47 82.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.9 p -59.92 -36.42 76.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.91 -40.7 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 28.1 mtt85 -71.13 -35.18 71.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -70.18 -46.85 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -47.6 85.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.88 -41.0 87.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.593 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.8 t80 -59.16 -44.72 92.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.34 -39.4 92.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 754' ' ' LEU . 3.3 t80 -62.09 -39.95 94.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.593 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.7 mtp -68.59 -39.25 81.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.646 ' NE2' ' CE1' ' A' ' 802' ' ' HIS . 2.0 t60 -59.81 -45.39 92.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 13.5 t -73.71 -35.43 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 761' ' ' ILE . 15.4 tp -54.45 -47.45 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 19.1 pt-20 -74.45 -36.57 63.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.646 ' CE1' ' NE2' ' A' ' 798' ' ' HIS . 7.8 m-70 -59.37 -41.93 90.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -69.89 -35.39 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -73.85 -37.6 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 40.7 mttp -67.72 -45.65 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.75 -45.24 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 17.9 t -62.04 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.4 77.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.547 ' CD1' HD13 ' A' ' 754' ' ' LEU . 36.7 t80 -65.03 -49.08 71.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.03 -44.39 97.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.4 t -60.58 -38.75 85.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 47.4 ttp -62.96 -44.19 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.547 HD13 ' CD1' ' A' ' 750' ' ' PHE . 17.6 mt -63.44 -42.61 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -62.57 -35.93 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -90.8 8.44 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.41 156.3 37.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.446 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -143.82 124.48 7.84 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.594 0.711 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.68 169.95 60.49 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.327 -0.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.13 27.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 98.0 mt -49.94 104.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.08 167.56 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.2 -30.18 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -97.54 28.86 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.84 146.69 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.0 t -102.59 140.43 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.559 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.3 t-105 -50.91 -53.29 33.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 79.7 mt-10 -66.89 -23.6 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . 0.443 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 6.5 t70 -77.53 -19.86 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 793' ' ' PHE . 18.9 pt -113.16 -17.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.52 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.5 ptm180 -63.36 -51.06 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.8 tt0 -54.77 -22.52 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -74.13 -34.07 63.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -109.32 -4.69 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.5 t -56.56 -22.77 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -90.04 -19.65 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.57 153.68 91.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -38.41 7.72 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -56.36 -40.12 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 0.9 OUTLIER -75.89 -44.14 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.02 -22.08 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.86 -34.33 77.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 46.3 mm -81.86 96.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 71.5 p -67.93 -47.12 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.05 118.62 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.93 -39.34 94.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.4 p -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -60.48 -42.02 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 40.3 mtt180 -69.03 -41.55 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -63.27 -46.61 86.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.22 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.27 -41.21 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 41.5 t80 -60.03 -43.4 95.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -61.27 -45.06 96.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.17 -41.83 96.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -61.16 -40.58 94.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.2 mtp -66.07 -40.16 90.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.487 ' CD2' ' C ' ' A' ' 798' ' ' HIS . 2.4 t60 -59.41 -45.72 90.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 11.5 t -72.73 -35.07 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.6 tp -54.63 -46.0 73.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 13.9 pt-20 -73.6 -42.08 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.479 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 9.2 m-70 -62.24 -33.93 75.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 51.8 mtm . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -67.99 -42.46 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -72.17 -40.52 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.429 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 2.5 mtmp? -67.59 -44.06 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.88 -45.46 74.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 15.6 t -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.27 86.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.518 ' CD1' HD12 ' A' ' 754' ' ' LEU . 37.3 t80 -61.94 -48.92 78.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -62.64 -47.43 83.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.6 t -61.17 -37.67 83.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 39.3 ttp -62.63 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.557 HD22 ' CE2' ' A' ' 774' ' ' PHE . 14.5 mt -63.16 -41.54 99.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -68.15 -28.75 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -82.89 -6.95 59.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -68.52 166.09 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.424 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -153.66 123.59 3.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.512 0.672 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.76 170.06 60.34 Favored 'Cis proline' 0 C--O 1.231 0.133 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.375 0.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 142.2 47.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 70.1 mt -47.82 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -64.68 164.3 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.35 -29.0 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -99.29 28.96 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -93.53 146.38 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 59.9 t -102.82 143.73 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.0 t-105 -51.14 -53.35 35.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.432 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.9 mt-10 -67.61 -21.93 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . 0.401 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 14.5 t0 -81.86 -16.29 51.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 793' ' ' PHE . 15.9 pt -115.04 -19.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 775' ' ' VAL . 5.3 ptm180 -62.33 -44.18 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.6 tt0 -54.63 -24.11 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 30.3 mtp85 -73.11 -33.98 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 754' ' ' LEU . 6.6 m-85 -109.1 -4.32 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.3 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -101.72 -8.88 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.93 152.55 68.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -39.13 6.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.42 84.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 0.2 OUTLIER -75.73 -35.13 60.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.34 -21.77 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 9.5 t0 -65.87 -35.85 81.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 789' ' ' ARG . 11.6 mm -74.9 98.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 18.3 p -64.15 -48.08 77.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.75 118.54 16.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.41 -35.18 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 73.9 p -61.44 -35.62 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -59.97 -40.15 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 29.9 mtm180 -71.59 -38.98 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . 0.49 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 8.4 ttmt -64.44 -46.03 84.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.36 -46.11 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -41.29 88.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.3 t80 -59.43 -45.15 92.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -59.83 -45.38 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.81 -42.92 99.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.0 t80 -60.92 -37.97 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.7 mtp -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.5 t60 -60.24 -45.22 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 18.8 t -67.3 -34.7 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.63 -45.32 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.5 pt-20 -66.92 -42.53 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -70.25 -33.58 71.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.85 95.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -67.08 -36.65 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -68.36 -47.1 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.23 -48.47 80.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 13.6 t -62.05 -43.83 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.55 74.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.466 ' CD2' HD11 ' A' ' 754' ' ' LEU . 49.7 t80 -66.03 -48.6 70.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -60.26 -44.31 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 p -59.84 -44.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 42.2 ttp -59.37 -44.03 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 750' ' ' PHE . 22.7 mt -61.26 -35.92 78.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.55 -36.09 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -80.82 -0.77 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.09 153.24 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.442 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -142.39 124.35 8.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.7 169.94 60.61 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 128.96 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 87.0 mt -37.95 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.79 -175.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 61.7 mt -84.41 -18.84 34.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.92 27.72 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.18 143.84 27.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 49.8 t -102.85 140.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -51.09 -53.09 37.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.415 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 43.2 mt-10 -64.85 -24.14 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.64 -24.77 56.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.524 HD12 ' CD1' ' A' ' 793' ' ' PHE . 18.1 pt -107.63 -17.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.415 ' CD ' ' HA ' ' A' ' 768' ' ' GLU . 4.2 ptm180 -63.95 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.87 -21.95 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -76.08 -30.06 58.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 776' ' ' LYS . 4.5 m-85 -107.39 -7.73 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.533 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 6.7 p -35.44 -33.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 774' ' ' PHE . 18.5 mmmt -96.27 -40.54 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.4 mm-40 -37.23 148.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -38.65 7.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.21 91.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 1.1 t80 -72.87 -42.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.21 -24.46 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -35.3 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.452 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 29.9 mm -87.93 72.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 784' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.9 OUTLIER -47.51 -40.12 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.437 ' N ' ' CG2' ' A' ' 784' ' ' THR . 0.2 OUTLIER -74.66 104.0 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 787' ' ' SER . 8.5 pt-20 -51.88 -34.99 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 787' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 80.2 p -59.82 -39.47 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.439 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 26.7 mm-40 -59.95 -37.7 80.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 25.9 mtt85 -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -66.22 -45.24 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -63.52 -47.46 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.88 -41.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 55.7 t80 -60.07 -43.4 95.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -61.44 -44.73 96.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.69 -42.1 98.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -61.59 -40.75 95.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.543 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 38.2 mtp -65.43 -40.76 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.1 t60 -59.43 -45.67 90.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.84 -35.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 11.7 tp -54.54 -46.05 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 8.2 pt-20 -73.58 -42.09 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 8.2 m-70 -59.73 -38.77 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.29 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -68.83 -42.9 76.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -61.03 -46.58 90.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -64.38 -39.22 93.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 47.7 t -63.46 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.24 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -63.48 -48.95 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -65.03 -43.21 93.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.0 m -60.63 -38.05 83.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 753' ' ' MET . . . . . 0.433 ' SD ' ' CB ' ' A' ' 777' ' ' GLU . 42.2 ttp -66.02 -44.79 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.509 HD22 ' CE2' ' A' ' 774' ' ' PHE . 60.0 mt -59.07 -39.26 81.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.83 10.18 10.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.19 175.85 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.457 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -160.54 124.61 2.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.83 169.54 63.15 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.355 0.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.74 19.89 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.454 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 84.3 mt -40.75 105.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -68.53 -175.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.68 -17.17 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -113.68 28.03 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -84.48 139.95 31.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 82.0 t -105.13 142.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.515 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.6 t-105 -52.35 -52.96 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -65.77 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.95 -23.49 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.509 HD13 ' CE1' ' A' ' 793' ' ' PHE . 18.9 pt -107.11 -19.2 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -63.53 -39.72 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.0 -31.7 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -72.88 -29.98 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.509 ' CE2' HD22 ' A' ' 754' ' ' LEU . 6.3 m-85 -112.26 8.39 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 771' ' ' ARG . 7.8 p -57.64 -11.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -115.91 -26.93 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.433 ' CB ' ' SD ' ' A' ' 753' ' ' MET . 5.7 mm-40 -49.32 153.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -39.23 6.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.04 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.14 -43.54 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -61.83 -25.4 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.02 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.11 113.48 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.8 p -89.03 -56.2 3.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 788' ' ' GLU . 0.7 OUTLIER -49.98 125.26 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -60.86 -44.96 96.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 72.7 p -61.99 -33.1 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 785' ' ' LEU . 4.1 mm-40 -60.07 -42.48 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.04 -41.38 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -65.11 -44.88 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -60.95 -46.81 89.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.67 -42.7 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.536 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 39.1 t80 -60.59 -42.8 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -62.12 -43.93 97.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.28 -41.77 97.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 8.5 t80 -61.37 -47.96 83.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.536 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.4 mtp -60.13 -39.58 86.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.2 t60 -59.84 -45.37 92.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.62 -34.44 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.26 -45.46 93.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.1 pt-20 -66.4 -40.03 89.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.479 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 42.1 m-70 -72.33 -36.22 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 743' ' ' MET . . . . . 0.442 ' HA ' ' NZ ' ' A' ' 746' ' ' LYS . 21.0 ptp . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.851 0.358 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -43.67 98.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -73.6 -31.58 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.442 ' NZ ' ' HA ' ' A' ' 743' ' ' MET . 6.4 mtmp? -67.46 -46.77 72.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.44 -43.06 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.8 p -61.42 -45.95 92.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.95 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 754' ' ' LEU . 34.4 t80 -63.86 -48.68 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -62.2 -47.2 85.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.1 t -59.87 -36.44 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 753' ' ' MET . . . . . 0.531 ' SD ' ' CG ' ' A' ' 774' ' ' PHE . 15.3 tmm? -66.81 -39.66 87.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 750' ' ' PHE . 33.7 mt -67.25 -44.2 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 756' ' ' GLN . 9.5 pttm -67.2 -36.08 80.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 755' ' ' LYS . 6.5 pt20 -80.94 0.04 37.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.14 154.98 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.428 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -138.55 122.69 11.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.654 0.74 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.73 169.97 60.62 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 127.68 14.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 77.2 mt -41.43 105.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.47 -177.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 59.0 mt -78.64 -22.31 47.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -105.66 27.37 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -85.34 145.3 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 28.6 t -108.49 142.94 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.533 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.1 t-105 -51.26 -53.05 39.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 57.4 mt-10 -65.23 -24.47 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -74.75 -25.31 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.4 ' CD1' HD23 ' A' ' 754' ' ' LEU . 15.7 pt -106.61 -19.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.9 ptm180 -62.91 -35.94 81.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.09 -30.47 70.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -72.78 -31.84 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.531 ' CG ' ' SD ' ' A' ' 753' ' ' MET . 7.6 m-85 -109.04 0.26 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 771' ' ' ARG . 7.1 p -40.77 -32.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 777' ' ' GLU . 20.9 mmtt -93.35 -35.07 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 776' ' ' LYS . 57.9 mm-40 -35.79 149.23 0.13 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -36.43 10.84 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.82 2.347 . . . . 0.0 112.286 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.36 71.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.555 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.9 t80 -75.72 -50.99 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -65.54 -21.84 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.85 -41.1 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.439 HG21 ' CG ' ' A' ' 789' ' ' ARG . 12.6 mm -74.85 86.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 17.4 p -54.58 -39.3 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.74 121.26 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.94 -39.85 95.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 1.2 m -59.93 -33.36 71.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.401 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 16.9 mm-40 -60.88 -39.93 91.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.555 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 36.6 mtm180 -71.58 -40.87 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -62.71 -45.8 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -62.13 -47.89 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.09 -40.98 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 57.0 t80 -59.2 -43.3 92.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -62.56 -45.34 93.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -66.44 -39.21 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -62.15 -43.11 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.573 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 42.5 mtp -65.65 -39.12 91.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 798' ' ' HIS . 2.3 t60 -60.31 -45.07 94.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 5.3 t -66.97 -34.82 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.22 -45.21 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.84 -42.27 86.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 27.7 m-70 -70.77 -33.62 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -65.43 -44.73 86.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -67.25 -45.73 75.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.2 -47.1 87.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.03 -40.4 96.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 20.4 m -62.01 -45.83 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.65 81.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -62.18 -49.27 76.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -60.15 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.3 m -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 39.2 ttp -60.05 -41.43 92.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 761' ' ' ILE . 18.0 mt -67.45 -37.5 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -63.52 -36.09 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -86.94 5.43 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.0 147.05 47.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.438 ' O ' ' NH2' ' A' ' 773' ' ' ARG . . . -135.06 124.51 16.51 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.78 169.43 63.46 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.381 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 136.53 33.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 79.3 mt -45.21 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.55 -175.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 30.7 mt -84.68 -33.94 23.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.85 36.24 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.72 149.79 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.5 t -103.34 136.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.557 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.3 t-105 -54.03 -51.19 64.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.433 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.2 mt-10 -66.16 -21.91 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . 0.438 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 10.9 t70 -82.15 -21.2 36.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 793' ' ' PHE . 19.5 pt -107.81 -19.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.465 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.1 ptm180 -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 775' ' ' VAL . 15.8 pt-20 -53.73 -19.57 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 758' ' ' ALA . 73.5 mtp180 -81.27 -26.83 35.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 8.1 m-85 -111.45 -8.25 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 772' ' ' GLU . 1.2 m -37.46 -43.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 777' ' ' GLU . 3.1 mmmm -78.5 -44.59 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 776' ' ' LYS . 78.6 mm-40 -34.46 151.11 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -38.97 6.94 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.282 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.16 -36.09 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 4.8 t80 -75.48 -46.75 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.44 -24.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.87 -41.29 91.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.455 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 11.1 mm -80.37 103.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 16.5 p -75.27 -43.45 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.1 mp -70.89 119.95 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.429 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.5 pt-20 -61.22 -39.02 88.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.4 p -59.87 -34.61 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.6 -42.17 98.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 767' ' ' TRP . 32.6 mtt85 -69.03 -36.13 77.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -70.14 -46.89 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.99 -44.5 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.86 -44.03 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 770' ' ' ILE . 41.0 t80 -58.66 -45.47 89.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.28 -44.15 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.96 -43.08 99.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -60.77 -40.05 91.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.545 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.3 mtp -64.07 -41.36 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 8.1 t60 -59.92 -45.47 92.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.8 -34.85 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.4 -45.28 94.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.4 pt-20 -67.11 -41.54 86.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.425 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 26.7 m-70 -70.87 -33.43 70.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.849 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 4.1 ptp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -62.07 -41.53 98.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.84 -39.24 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.426 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 20.6 mttm -68.23 -49.6 59.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.61 -43.36 97.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.7 t -61.92 -45.98 91.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.537 ' CE2' HD12 ' A' ' 754' ' ' LEU . 37.5 t80 -61.27 -49.01 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -63.69 -44.86 92.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 34.5 t -59.78 -41.77 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 753' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 14.5 tmm? -62.81 -40.85 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 750' ' ' PHE . 50.9 mt -63.33 -36.88 85.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -69.06 -35.95 77.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -86.76 12.06 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.16 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.446 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -132.2 124.38 19.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.76 170.36 58.87 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.62 -1.825 . . . . 0.0 112.381 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.99 36.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.28 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 43.2 mt -55.18 105.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -70.68 -179.36 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -77.24 -29.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -99.85 32.61 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -96.3 139.25 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 767' ' ' TRP . 24.1 t -98.45 144.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.571 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 12.2 t-105 -54.55 -45.41 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.16 -21.85 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.97 -35.43 50.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 16.2 pt -100.07 -15.26 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 775' ' ' VAL . 1.2 ttt-85 -65.01 -52.74 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.81 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 775' ' ' VAL . 8.8 tp10 -54.65 -35.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -62.06 -33.93 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 10.9 m-85 -105.18 -8.57 18.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.495 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 1.9 t -47.91 -26.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -93.9 -20.48 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 774' ' ' PHE . 75.2 mm-40 -64.63 149.38 95.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.31 8.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.72 71.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 4.5 t80 -76.17 -51.26 12.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -63.91 -21.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . 0.426 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 10.2 t0 -65.24 -10.15 29.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.423 ' CG2' ' HG2' ' A' ' 789' ' ' ARG . 18.5 mm -97.71 91.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.2 p -58.54 -46.27 87.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.6 mp -80.11 115.56 19.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -59.04 -35.41 73.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.5 p -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -60.82 -40.51 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.423 ' HG2' ' CG2' ' A' ' 783' ' ' ILE . 17.0 mtm180 -70.64 -38.04 73.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.71 -46.14 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -64.96 -46.16 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.96 -40.83 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.597 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.6 t80 -61.1 -45.34 95.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -59.8 -45.14 93.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.46 -41.05 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 10.9 t80 -61.97 -40.19 94.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.597 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 30.8 mtp -65.94 -41.47 91.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.1 t60 -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 9.6 t -67.02 -34.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.25 -45.47 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.6 pt-20 -66.42 -42.2 88.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.5 m-70 -71.18 -33.68 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 22.1 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -67.35 -41.3 85.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -71.46 -48.64 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 23.4 mttm -62.93 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.99 -46.86 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 21.6 m -61.76 -41.47 97.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.481 ' CD1' HD11 ' A' ' 754' ' ' LEU . 50.8 t80 -64.95 -49.13 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -60.01 -45.11 93.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 t -61.37 -40.68 95.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.39 -41.5 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 750' ' ' PHE . 17.2 mt -65.4 -38.58 90.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.28 -36.13 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.51 4.35 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 149.33 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.182 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.438 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -136.86 123.23 13.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.72 170.07 60.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.307 0.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.79 38.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.215 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 72.5 mt -49.03 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.49 -174.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.6 mt -84.25 -28.64 27.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.73 35.66 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -99.19 140.04 33.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.418 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 96.6 t -101.74 150.3 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.31 -53.17 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.451 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.4 mt-10 -65.38 -21.98 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . 0.418 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.1 m-20 -78.84 -26.94 44.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' A' ' 793' ' ' PHE . 17.5 pt -103.54 -20.17 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.533 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 6.4 ptm180 -63.68 -50.88 67.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.533 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 8.1 tp10 -53.76 -19.53 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . 0.414 ' NH2' ' HD2' ' A' ' 759' ' ' PRO . 27.9 mtp180 -81.39 -26.94 35.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 777' ' ' GLU . 10.3 m-85 -111.13 -8.16 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 772' ' ' GLU . 1.3 m -38.01 -38.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -83.53 -33.59 25.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 774' ' ' PHE . 6.7 mm-40 -48.36 149.6 2.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.76 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -38.98 6.9 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.26 76.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.599 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 t80 -75.79 -46.08 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.12 -21.9 66.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.88 -27.76 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 14.9 mm -96.1 88.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.8 p -57.31 -32.89 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.476 ' CB ' ' HG2' ' A' ' 788' ' ' GLU . 6.1 mt -78.87 107.85 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 787' ' ' SER . . . . . 0.475 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 72.4 p -62.52 -36.8 83.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.476 ' HG2' ' CB ' ' A' ' 785' ' ' LEU . 56.2 mm-40 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.599 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 39.9 mtm180 -67.7 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -61.36 -46.48 90.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -65.12 -44.83 87.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.81 -40.97 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 13.5 t80 -62.61 -43.94 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -57.94 -45.48 86.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.56 -40.41 94.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.1 t80 -60.82 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.8 mtp -64.35 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.01 -45.2 93.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.1 t -67.27 -34.68 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -60.5 -45.27 94.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 27.5 m-70 -70.44 -33.61 71.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.867 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 44.3 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -67.42 -39.71 85.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.14 -41.93 85.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -65.88 -46.42 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -62.75 -48.73 77.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.12 -45.52 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 9.7 t -60.0 -39.13 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 37.1 ttp -62.84 -43.97 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.33 -41.57 93.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -68.96 -28.77 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -83.99 1.49 43.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -75.05 172.37 12.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.436 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -157.83 124.73 2.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.8 169.75 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.618 -1.826 . . . . 0.0 112.346 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 761' ' ' ILE . 54.2 Cg_endo -69.76 130.52 19.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 760' ' ' PRO . 85.6 mt -35.09 105.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.14 -176.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.65 -21.42 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.19 28.4 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 141.03 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 767' ' ' TRP . 39.6 t -95.11 142.29 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -50.98 -53.13 35.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 83.9 mt-10 -65.29 -22.0 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . 0.403 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.6 m-20 -79.26 -22.14 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 793' ' ' PHE . 21.5 pt -111.21 -15.07 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.462 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 4.9 ptm180 -65.19 -46.36 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 2.6 pp20? -54.59 -22.42 13.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . 0.409 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 32.7 mtm180 -72.97 -33.0 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.31 -5.34 14.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.6 t -55.32 -17.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -100.07 -21.89 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.98 153.42 95.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -37.62 8.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.13 72.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.3 t80 -76.01 -46.8 27.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.84 -22.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -28.61 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 10.8 mm -87.03 99.19 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -72.56 -38.07 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 784' ' ' THR . 0.2 OUTLIER -78.78 109.95 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.09 -35.83 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.1 p -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -60.29 -44.91 94.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 43.2 mtm180 -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -69.04 -46.46 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -63.42 -44.56 94.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.92 -44.37 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 33.8 t80 -58.73 -45.13 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -58.18 -45.07 88.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.2 t80 -63.76 -39.56 94.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.3 mtp -66.39 -41.46 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.606 ' NE2' ' CE1' ' A' ' 802' ' ' HIS . 3.8 t60 -59.83 -45.35 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 12.0 t -73.0 -35.17 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 13.7 tp -55.01 -46.68 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 21.9 pt-20 -74.1 -37.88 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.606 ' CE1' ' NE2' ' A' ' 798' ' ' HIS . 7.6 m-70 -59.18 -41.59 88.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 25.3 ttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -69.16 -43.99 73.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.32 -42.08 84.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -61.06 -50.23 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . 0.413 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -60.97 -42.23 97.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.1 m -61.91 -44.3 97.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.34 -49.17 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -62.23 -38.21 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -66.02 -40.98 91.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 35.6 ttp -61.75 -43.27 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 761' ' ' ILE . 11.9 mt -65.23 -40.98 94.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -62.0 -35.41 78.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.7 8.96 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.31 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.422 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.76 123.9 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.196 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.0 Cg_endo -69.75 169.83 61.42 Favored 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.765 -1.765 . . . . 0.0 112.345 0.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.0 Cg_endo -69.84 126.64 13.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.613 2.208 . . . . 0.0 112.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 760' ' ' PRO . 56.8 mt -34.25 105.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.25 -177.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.61 -35.43 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.06 28.36 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -83.67 140.71 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 767' ' ' TRP . 38.6 t -100.08 141.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.556 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.1 t-105 -51.64 -52.46 47.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.434 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 26.9 mp0 -66.7 -23.04 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.5 -23.99 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.496 HD12 ' CE1' ' A' ' 793' ' ' PHE . 19.8 pt -107.3 -20.02 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.2 ptm180 -63.59 -45.29 91.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . 0.517 ' HA ' ' CG1' ' A' ' 775' ' ' VAL . 6.3 tp10 -53.8 -20.15 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -81.12 -26.8 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 776' ' ' LYS . 11.4 m-85 -111.76 -7.74 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.561 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 1.0 OUTLIER -37.44 -30.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 774' ' ' PHE . 27.1 mtmm -96.09 -41.81 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 776' ' ' LYS . 64.0 mm-40 -37.24 151.14 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -39.13 7.03 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.89 -38.54 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 0.6 OUTLIER -75.21 -41.44 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.78 -23.4 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.96 -39.71 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.46 ' O ' ' NE ' ' A' ' 789' ' ' ARG . 24.4 mm -81.77 107.47 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 3.0 p -79.78 -56.36 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 123.25 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.19 -39.62 90.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 59.6 p -65.13 -32.99 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.82 -41.9 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 64.4 mtt180 -72.18 -41.88 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -64.01 -46.23 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -60.77 -48.4 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.84 -41.87 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 35.0 t80 -60.72 -45.41 94.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -58.04 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.02 -39.36 89.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 36.0 mtp -65.02 -41.13 95.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.1 t60 -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 8.9 t -66.79 -34.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.55 -45.33 94.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -66.53 -42.28 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.6 m-70 -71.4 -33.49 69.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 23.4 ttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -67.69 -41.99 82.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -68.42 -37.86 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -68.66 -47.55 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -64.3 -41.63 96.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 44.0 t -62.44 -42.22 99.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.21 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -62.64 -48.18 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -62.12 -46.2 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 752' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 755' ' ' LYS . 15.2 m -59.88 -43.83 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -59.84 -39.48 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 754' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.58 -40.37 95.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 752' ' ' SER . 7.5 pttp -76.32 -21.55 56.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -79.85 -9.93 59.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.17 165.98 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 758' ' ' ALA . . . . . 0.419 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -148.49 122.29 4.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 759' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.4 Cg_endo -69.68 170.04 60.05 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.388 -0.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 135.62 30.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 51.1 mt -38.24 105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.64 -175.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.96 -13.79 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.16 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.55 139.1 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 62.6 t -101.81 142.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' TRP . . . . . 0.559 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -51.13 -52.31 45.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 12.6 mt-10 -64.46 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -25.72 49.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' ILE . . . . . 0.402 ' HA ' ' CD ' ' A' ' 773' ' ' ARG . 26.6 pt -105.32 -19.02 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.4 ptm180 -64.94 -38.78 92.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.93 -27.34 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' ARG . . . . . 0.402 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 38.1 mtp180 -74.82 -32.39 61.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.11 0.02 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 771' ' ' ARG . 8.6 p -40.93 -33.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 777' ' ' GLU . 16.6 mmtt -90.63 -37.97 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 53.1 mm-40 -37.47 152.25 0.13 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.644 0.735 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.81 78.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' PHE . . . . . 0.598 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 5.0 t80 -74.7 -47.18 32.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.49 -24.11 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.84 -40.77 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 783' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 789' ' ' ARG . 27.9 mm -83.43 111.72 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 6.6 p -85.17 -55.99 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 785' ' ' LEU . . . . . 0.401 ' HB2' ' CG ' ' A' ' 788' ' ' GLU . 0.5 OUTLIER -55.1 126.32 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -62.16 -45.88 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 88.0 p -60.73 -32.8 72.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 788' ' ' GLU . . . . . 0.401 ' CG ' ' HB2' ' A' ' 785' ' ' LEU . 39.9 mm-40 -59.76 -43.43 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 789' ' ' ARG . . . . . 0.598 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 60.4 mtt180 -72.03 -35.77 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 790' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 790' ' ' LYS . 0.9 OUTLIER -69.99 -40.3 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.0 -49.04 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.98 -41.04 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.186 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' PHE . . . . . 0.601 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.6 t80 -60.24 -45.27 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -59.78 -45.23 92.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.2 -38.09 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 9.0 t80 -62.49 -45.76 91.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' MET . . . . . 0.601 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.0 mtp -63.33 -39.5 94.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' HIS . . . . . 0.486 ' CD2' ' C ' ' A' ' 798' ' ' HIS . 2.3 t60 -60.39 -44.99 95.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 12.1 t -66.78 -34.89 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.33 -45.3 95.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.0 pt-20 -66.54 -41.8 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.7 m-70 -71.51 -33.57 69.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 34.1 p -94.23 -58.6 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.7 t -147.43 115.03 6.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -171.34 121.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 6.4 t -63.42 156.65 25.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 96.7 p -143.93 154.77 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.789 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 144.52 -116.19 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.0 ttm -67.4 -42.12 83.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.91 98.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -66.96 -41.15 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 p -61.92 -45.83 91.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.76 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -62.52 -48.46 79.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -59.56 -46.38 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.0 t -61.86 -36.9 82.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 44.0 ttp -63.21 -40.81 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.497 HD23 ' CE2' ' A' ' 774' ' ' PHE . 20.4 mt -66.66 -38.51 87.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -65.88 -36.02 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -86.81 11.81 12.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.7 164.67 24.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.445 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -149.04 124.05 4.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.478 0.656 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.71 169.93 60.72 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 -1.789 . . . . 0.0 112.351 -0.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.6 Cg_endo -69.79 127.63 14.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 32.0 mt -34.25 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.52 -178.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.61 -32.43 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.03 37.42 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.72 150.56 20.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 98.0 t -107.54 140.44 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.569 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -50.83 -53.23 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.456 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 20.8 mt-10 -66.16 -22.89 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.22 -19.77 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.572 HD13 ' CD1' ' A' ' 793' ' ' PHE . 16.0 pt -112.8 -16.51 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.497 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 6.2 ptm180 -65.09 -49.62 69.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 7.0 tt0 -54.76 -25.33 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -72.28 -33.65 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.497 ' CE2' HD23 ' A' ' 754' ' ' LEU . 14.9 m-85 -107.99 -5.5 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.7 t -58.26 -25.5 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -88.49 -8.53 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -85.69 154.02 58.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -37.37 9.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -56.86 -40.68 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.639 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.5 t80 -75.33 -46.0 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.93 -22.94 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.91 -33.92 76.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 8.9 mm -78.52 101.81 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 54.7 p -70.03 -45.5 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 118.29 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -61.57 -39.12 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 83.5 p -60.27 -34.49 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.94 -41.63 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.639 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.3 mtm180 -71.97 -35.38 69.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -68.25 -47.02 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 791' ' ' ARG . 3.0 tmt_? -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.21 -41.74 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.575 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 26.6 t80 -60.57 -45.39 94.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -44.89 89.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.43 -42.57 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.3 t80 -61.12 -38.13 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.575 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.0 mtp -65.79 -41.43 91.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.498 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.2 t60 -60.57 -45.01 95.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 10.9 t -66.82 -34.93 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.49 -45.3 94.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.4 pt-20 -66.5 -42.19 87.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.0 m-70 -71.27 -33.61 69.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -71.87 -38.89 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.04 -62.04 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -80.89 139.23 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -61.43 121.68 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 94.5 p -133.15 -43.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -131.33 84.75 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 31.4 t -110.25 -46.9 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 812' ' ' GLY . 26.4 m -49.2 160.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 811' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 78.0 p -168.4 136.18 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 5.2 t -174.88 142.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 132.65 73.39 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 18.7 m -83.54 89.47 7.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 70.6 m -98.2 -48.91 4.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 132.52 -40.59 1.6 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 5.7 mmt -62.21 -32.64 73.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -67.17 -39.1 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 745' ' ' ARG . 7.5 mtp-105 -66.43 -46.13 77.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.51 -45.72 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -62.26 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.8 t -62.11 -41.34 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.51 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 754' ' ' LEU . 44.3 t80 -64.35 -48.95 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -61.29 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 25.2 t -60.29 -40.83 91.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 33.1 ttp -63.04 -41.38 99.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 750' ' ' PHE . 58.6 mt -61.98 -40.87 97.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -66.83 -35.83 80.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -83.85 9.33 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -77.94 168.97 19.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.427 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -156.78 123.9 2.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.51 0.671 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.79 169.99 60.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.36 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.78 43.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 75.7 mt -45.99 105.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.68 -175.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.61 -27.23 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -110.25 35.89 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.34 143.43 26.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.422 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 82.8 t -98.36 142.09 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 6.3 t-105 -52.22 -53.06 48.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.456 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 32.0 mt-10 -64.55 -21.83 66.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . 0.422 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 80.5 m-20 -78.53 -25.32 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.516 HD12 ' CD1' ' A' ' 793' ' ' PHE . 18.0 pt -107.5 -16.39 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.524 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.6 ptm180 -64.94 -50.87 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.9 pt-20 -54.66 -24.62 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -70.12 -31.42 68.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.461 ' CE2' HD21 ' A' ' 754' ' ' LEU . 14.0 m-85 -110.87 -8.25 14.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.519 HG22 ' CZ ' ' A' ' 780' ' ' PHE . 2.5 t -52.4 -27.17 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -88.96 -16.38 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -77.93 153.41 80.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -37.61 9.04 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.425 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.09 72.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 2.0 t80 -76.2 -48.03 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.95 -22.59 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.08 -30.92 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 21.2 mm -82.81 101.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 34.2 p -72.2 -40.39 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.1 116.02 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.84 -35.54 76.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 77.7 p -62.16 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.31 -41.7 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.2 mtm180 -70.75 -35.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -67.88 -46.93 70.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -63.27 -45.07 93.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.13 -42.43 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.8 t80 -60.21 -43.57 95.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -60.99 -45.31 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -62.12 -43.05 99.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 2.4 t80 -60.88 -37.91 83.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -67.45 -38.09 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.486 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.4 t60 -62.09 -45.23 94.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.1 -34.95 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.2 -45.4 94.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.4 pt-20 -66.42 -42.23 88.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.412 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.6 m-70 -71.05 -33.61 70.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -75.9 -31.0 58.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 7.9 t -133.33 72.94 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.31 149.75 37.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 49.23 53.31 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 37.7 t -102.89 85.01 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 89.3 85.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 810' ' ' SER . 53.8 Cg_endo -69.79 1.82 4.11 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.63 2.22 . . . . 0.0 112.305 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 809' ' ' PRO . 1.5 m -35.86 122.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 55.1 m -62.81 -176.53 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 19.7 m -63.24 -42.62 99.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.366 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 29.0 t -87.19 118.27 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 178.64 152.86 10.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 86.4 p -63.18 168.02 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 55.5 m -70.15 115.25 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -152.33 -147.92 4.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.5 ttt -66.75 -30.05 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -68.34 -40.55 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -68.98 -47.57 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.84 -49.68 75.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.97 -40.58 80.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 48.5 t -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.18 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.423 ' CD1' HD12 ' A' ' 754' ' ' LEU . 43.0 t80 -65.14 -48.74 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -62.04 -42.11 98.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -60.77 -39.58 89.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 52.6 ttp -64.49 -44.16 91.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.423 HD12 ' CD1' ' A' ' 750' ' ' PHE . 65.5 mt -58.76 -42.29 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -68.27 -36.05 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.71 11.21 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.49 165.78 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.433 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.23 123.85 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.5 Cg_endo -69.69 169.88 60.9 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.34 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.24 14.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 94.9 mt -37.21 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.71 -178.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.2 mt -78.55 -23.57 46.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.08 28.68 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -85.17 141.84 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 69.7 t -104.75 146.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.56 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.38 -53.04 62.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.425 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 18.8 mt-10 -63.06 -22.13 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -78.26 -31.25 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.441 HD13 ' CE1' ' A' ' 793' ' ' PHE . 22.4 pt -98.13 -19.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -64.73 -35.97 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.81 -25.53 66.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -76.99 -29.96 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.92 -2.47 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 771' ' ' ARG . 6.7 p -40.47 -36.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 777' ' ' GLU . 15.8 mtpt -89.47 -40.8 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 776' ' ' LYS . 59.6 mm-40 -35.19 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -38.81 7.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.83 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -75.8 -41.46 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -64.58 -23.18 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.63 -37.35 76.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.449 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 6.4 mm -85.22 82.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -55.95 -37.34 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' A' ' 784' ' ' THR . 0.2 OUTLIER -79.1 116.34 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.412 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 0.1 OUTLIER -61.04 -35.02 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 92.9 p -59.94 -38.05 81.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 12.8 mt-10 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.502 ' HB3' ' CH2' ' A' ' 767' ' ' TRP . 25.1 mtt85 -69.04 -36.23 77.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . 0.405 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 7.1 ttmt -67.28 -46.67 72.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -62.27 -46.45 88.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.98 -41.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 53.5 t80 -60.27 -43.94 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -60.49 -45.18 94.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -63.74 -41.31 98.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 2.9 t80 -61.15 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.5 mtp -65.37 -39.83 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.0 t60 -60.3 -44.94 94.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 11.1 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.25 -45.44 94.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.1 pt-20 -66.42 -42.53 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -70.94 -33.62 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -70.03 -38.04 75.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 17.7 p -81.96 -28.43 32.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -63.64 -48.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -141.78 124.91 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 2.3 t -60.14 115.71 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 163.01 167.84 24.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.3 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 4.4 m -151.16 123.81 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.4 m -139.47 143.56 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 17.6 m -54.37 101.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.912 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 13.9 t -152.16 105.48 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.44 136.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 92.5 p -82.37 -35.57 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 72.2 p -100.64 170.1 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -127.94 -172.66 13.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -63.67 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -70.56 -45.17 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -70.14 -41.32 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -65.93 -48.43 71.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.43 -43.48 88.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 28.8 p -62.17 -46.27 89.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.31 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' A' ' 754' ' ' LEU . 40.7 t80 -64.01 -48.97 74.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -61.95 -40.63 96.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.3 m -61.36 -42.63 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 57.0 ttp -61.9 -44.17 97.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.537 HD13 ' CD2' ' A' ' 750' ' ' PHE . 33.0 mt -61.41 -36.02 79.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.53 -27.26 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -91.22 -7.92 49.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -61.78 143.52 56.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.453 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.74 124.67 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.76 169.94 60.93 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.389 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.04 32.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 64.3 mt -44.8 105.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.81 -175.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 38.1 mt -85.97 -16.85 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -112.26 28.93 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.59 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.28 144.07 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.557 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.4 t-105 -53.79 -53.04 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 13.1 mt-10 -64.0 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.65 -26.65 50.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 793' ' ' PHE . 18.7 pt -104.02 -19.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.3 ptm180 -64.94 -41.16 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -66.01 -28.32 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -74.02 -30.95 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 775' ' ' VAL . 6.4 m-85 -107.62 -5.57 17.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 771' ' ' ARG . 9.4 p -36.04 -46.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.469 ' N ' ' CG1' ' A' ' 775' ' ' VAL . 27.4 mmtt -74.18 -45.09 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.2 mm-40 -34.21 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -36.83 10.21 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -59.99 -37.09 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.047 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 2.1 t80 -76.01 -48.75 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.61 -22.01 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.82 -37.1 81.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 13.0 mm -89.25 77.31 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -47.55 -38.29 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 784' ' ' THR . 0.2 OUTLIER -77.07 114.82 16.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.416 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 pt-20 -60.03 -35.93 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 78.6 p -60.12 -39.06 84.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 23.8 mm-40 -60.09 -39.74 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 29.0 mtt85 -70.09 -35.14 73.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -68.57 -46.95 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -59.62 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.04 -41.03 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 47.5 t80 -58.81 -44.06 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -61.79 -45.25 94.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.3 t80 -61.1 -39.48 90.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.4 mtp -65.38 -41.2 94.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.523 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.03 -45.04 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 11.6 t -66.84 -34.83 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.34 -45.46 94.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.7 pt-20 -66.43 -42.28 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.0 m-70 -71.12 -33.73 70.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -76.47 -42.23 44.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.18 -50.97 65.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 806' ' ' HIS . 74.1 mt-30 -64.28 177.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.423 ' CD2' ' H ' ' A' ' 806' ' ' HIS . 24.4 m-70 -37.69 135.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 77.7 p -62.6 135.15 57.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 154.68 83.26 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 145.28 57.11 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.7 t -159.56 114.28 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 62.4 p -109.78 -55.75 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 69.5 p -58.01 -44.09 87.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 39.9 m -50.66 113.92 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -37.6 141.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 1.4 t -98.92 43.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 4.8 t -128.89 120.73 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 178.24 125.91 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 744' ' ' LYS . 0.0 OUTLIER -63.99 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.838 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 743' ' ' MET . 10.9 ttpt -67.54 -43.77 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.31 91.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -65.57 -50.56 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.75 -40.1 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 30.8 t -63.13 -42.46 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.87 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.54 -48.47 72.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -61.93 -42.92 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.3 t -61.82 -40.89 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 32.3 ttp -62.09 -42.55 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 796' ' ' PHE . 62.6 mt -62.3 -41.93 98.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -81.83 -9.27 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -58.03 157.84 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.405 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -147.98 122.02 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.488 0.661 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.2 Cg_endo -69.82 169.2 64.74 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.325 0.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 140.62 43.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.416 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.549 HD11 ' CE1' ' A' ' 796' ' ' PHE . 83.7 mt -42.45 105.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.8 -175.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.14 -30.1 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -108.46 32.67 4.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.57 151.1 22.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.66 139.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.559 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -51.0 -53.11 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.464 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.7 mm-40 -65.63 -21.85 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.46 -20.44 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 793' ' ' PHE . 19.3 pt -112.91 -14.69 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.8 ptm180 -65.13 -40.13 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.8 -22.65 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . 0.412 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 31.9 mtm180 -75.28 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -107.16 -6.68 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.7 t -57.75 -23.22 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -2.87 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.77 154.44 47.95 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.705 0.764 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -36.7 10.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.66 78.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 1.0 OUTLIER -76.13 -44.88 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.99 -23.44 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.88 -18.56 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.447 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 36.2 mm -100.85 77.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -53.76 -36.87 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.431 ' N ' HG23 ' A' ' 784' ' ' THR . 0.3 OUTLIER -76.97 108.45 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.413 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.9 pt-20 -56.53 -35.06 67.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 99.1 p -59.95 -36.67 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.2 -38.63 87.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.542 ' HD2' ' CE2' ' A' ' 780' ' ' PHE . 20.3 mtt85 -71.69 -35.89 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . 0.438 ' HE2' ' CD1' ' A' ' 767' ' ' TRP . 9.7 ttmt -67.51 -46.17 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.07 -46.91 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.2 -41.3 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 45.1 t80 -59.05 -44.34 91.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -61.27 -45.33 94.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.25 -40.83 94.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.549 ' CE1' HD11 ' A' ' 761' ' ' ILE . 3.4 t80 -60.99 -42.2 97.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.0 mtp -66.24 -38.16 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 6.7 t60 -61.53 -45.06 95.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 14.3 t -67.04 -34.87 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.32 -45.28 95.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.2 pt-20 -66.51 -42.25 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 29.7 m-70 -71.04 -33.55 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 803' ' ' GLU . 0.0 OUTLIER -75.23 -30.94 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 2.9 t -112.96 66.27 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . 0.518 ' HG3' ' CD2' ' A' ' 806' ' ' HIS . 23.7 tp60 -137.37 145.92 43.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.518 ' CD2' ' HG3' ' A' ' 805' ' ' GLN . 47.1 m-70 54.21 51.04 15.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 5.5 m -144.84 130.22 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.791 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 75.75 -164.66 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 -27.68 26.33 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.3 m -72.13 130.37 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 8.6 t -119.08 -51.4 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 61.8 p -81.48 121.27 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.9 m -142.38 121.23 12.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -136.1 111.06 0.85 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.7 m -75.47 -42.68 52.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.919 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 67.9 m -54.67 176.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -139.08 -31.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.419 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 744' ' ' LYS . 10.7 ptp -62.58 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 743' ' ' MET . 12.5 ptpt -62.33 -34.14 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -69.56 -42.88 73.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 15.5 mtmt -64.78 -48.09 75.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.03 -43.33 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 58.7 m -61.99 -39.37 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.67 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.71 -49.42 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -61.83 -42.86 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.6 m -61.11 -41.78 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 779' ' ' ALA . 41.8 ttp -59.89 -46.54 89.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 761' ' ' ILE . 12.2 mt -61.25 -36.02 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -66.24 -36.07 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.45 8.03 42.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -71.38 137.78 48.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.451 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -125.38 124.79 25.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.3 Cg_endo -69.82 169.77 61.95 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.3 0.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.45 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.405 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 27.3 mt -47.94 105.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -68.51 -175.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 16.9 mt -81.0 -21.82 39.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.61 21.75 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -80.0 139.79 36.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 767' ' ' TRP . 39.2 t -106.39 142.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.479 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.7 t-105 -52.21 -53.06 48.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.442 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.8 mt-10 -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . 0.408 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 5.9 t70 -78.56 -22.38 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 793' ' ' PHE . 15.5 pt -108.6 -20.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.8 ptm180 -63.23 -41.67 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.9 -31.8 71.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -71.38 -31.11 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 776' ' ' LYS . 11.1 m-85 -104.73 -6.35 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.569 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.0 p -37.71 -27.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 774' ' ' PHE . 14.9 mtpt -95.77 -45.11 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 776' ' ' LYS . 7.9 mm-40 -36.96 152.75 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 782' ' ' ASP . 54.1 Cg_endo -69.78 -34.32 14.75 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.464 ' HB3' ' CE ' ' A' ' 753' ' ' MET . . . -61.14 -44.92 96.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.581 ' CE2' ' NH1' ' A' ' 789' ' ' ARG . 3.0 t80 -70.45 -44.24 68.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.71 -21.8 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 778' ' ' PRO . 12.5 m-20 -68.93 -29.15 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 22.2 mm -101.47 91.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 8.0 p -63.68 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 788' ' ' GLU . 87.8 mt -71.84 98.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -51.31 -45.91 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 25.6 p -59.74 -41.73 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 785' ' ' LEU . 77.0 mm-40 -59.78 -36.4 76.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.581 ' NH1' ' CE2' ' A' ' 780' ' ' PHE . 46.5 mtm180 -72.14 -35.92 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -66.62 -47.01 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -63.21 -44.5 95.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.9 -40.88 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 15.8 t80 -62.61 -43.91 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -59.15 -45.36 91.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 3.6 t80 -60.93 -39.33 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 39.7 mtp -64.42 -41.1 96.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.75 -45.09 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.0 t -66.96 -34.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.28 -45.45 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.55 -42.36 87.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -71.05 -33.57 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -76.87 -38.51 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 94.7 m -78.74 -24.27 44.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 806' ' ' HIS . 8.1 tm0? -106.25 156.38 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' A' ' 806' ' ' HIS . 1.1 m-70 -127.4 -51.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 39.9 t -145.23 138.89 26.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.73 31.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.422 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 811' ' ' SER . 53.7 Cg_endo -69.71 -0.09 6.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 91.1 p -47.58 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 809' ' ' PRO . 40.5 t -121.56 111.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 737' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 738' ' ' SER . 59.8 p -113.7 42.14 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 737' ' ' SER . 12.6 t -35.89 139.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -98.84 -125.32 5.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 5.2 t -145.46 137.22 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 28.8 t -55.54 121.79 9.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.772 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -167.12 -140.0 2.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 48.9 tpp -64.07 -42.31 97.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -62.33 -43.71 98.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -41.82 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -61.77 -51.01 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.02 -43.65 86.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.3 t -62.1 -36.04 80.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.13 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -64.78 -49.11 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -64.3 -43.66 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -38.3 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 40.3 ttp -63.88 -46.56 84.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 761' ' ' ILE . 15.6 mt -61.8 -38.08 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -36.06 82.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -90.07 11.63 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.96 169.54 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.435 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -155.21 124.3 3.08 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.495 0.664 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.7 Cg_endo -69.73 169.97 60.63 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.784 -1.757 . . . . 0.0 112.314 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.3 Cg_endo -69.84 127.84 15.1 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 69.7 mt -34.84 105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -64.82 177.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.1 mt -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.78 31.32 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.38 143.13 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 767' ' ' TRP . 47.5 t -104.76 142.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.468 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -52.35 -53.04 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.427 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.5 mt-10 -64.85 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.79 -23.67 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 793' ' ' PHE . 22.5 pt -107.32 -18.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.6 ptm180 -64.89 -44.39 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 10.0 pt-20 -61.44 -27.46 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -74.51 -32.04 62.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -107.33 -2.55 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.527 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.8 p -40.51 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 777' ' ' GLU . 48.9 mttt -91.58 -41.04 11.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 776' ' ' LYS . 5.9 mm-40 -36.17 150.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.757 2.305 . . . . 0.0 112.28 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.66 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 2.5 t80 -75.46 -51.16 13.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.12 -22.38 66.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.58 -25.43 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 26.1 mm -102.05 117.38 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.7 p -88.59 -54.7 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 788' ' ' GLU . 0.6 OUTLIER -52.18 121.66 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -60.3 -40.21 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' SER . . . . . 0.468 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 0.7 OUTLIER -66.06 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.451 ' CG ' HD11 ' A' ' 785' ' ' LEU . 15.0 mm-40 -59.97 -42.32 93.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -72.1 -41.24 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -63.92 -46.99 82.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -60.45 -48.15 83.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.7 -41.01 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 38.2 t80 -60.89 -42.63 98.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.0 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.38 -41.07 93.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.491 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 3.1 t80 -63.08 -45.23 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.6 mtp -63.26 -41.36 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.504 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.2 t60 -59.73 -45.36 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.07 -34.44 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.99 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.0 pt-20 -66.5 -40.06 89.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.6 m-70 -72.43 -35.62 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -78.3 -31.23 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.66 -12.96 3.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 806' ' ' HIS . 10.9 tt0 -101.23 56.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 805' ' ' GLN . 2.7 m-70 35.95 45.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 3.6 m -99.68 -42.63 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 119.53 125.93 3.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.54 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 52.8 p -62.47 156.98 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 44.4 p -44.86 150.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.4 t 67.14 42.14 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 32.7 t -92.52 105.46 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -75.39 142.76 29.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.4 m -151.42 133.52 15.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.1 t -71.77 173.46 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -69.07 -44.53 66.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 12.2 mtt -65.27 -44.75 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.0 -40.14 94.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -66.99 -46.53 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 25.9 mttm -60.4 -47.82 84.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -59.02 -41.55 88.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -61.85 -45.48 93.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.99 72.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 783' ' ' ILE . 11.5 t80 -62.18 -49.16 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -64.48 -46.65 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.8 t -59.89 -36.98 78.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 12.0 tmm? -65.42 -42.98 91.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 774' ' ' PHE . 43.8 mt -59.58 -45.14 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -31.65 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -80.86 7.22 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.99 166.24 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.431 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.39 122.69 3.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.73 170.03 60.34 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.344 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 138.69 38.26 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 93.9 mt -46.08 105.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.6 -178.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.45 -20.44 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -104.92 24.68 11.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -88.04 141.94 28.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 88.7 t -104.64 147.17 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.565 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.1 t-105 -51.35 -48.25 62.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.481 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 27.2 mt-10 -68.86 -21.74 64.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.98 -18.03 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.574 ' CD1' ' CD1' ' A' ' 793' ' ' PHE . 14.9 pt -110.43 -20.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 775' ' ' VAL . 3.0 ptm180 -64.98 -43.65 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.1 tp10 -65.54 -21.64 66.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . 0.404 ' NH2' ' HD2' ' A' ' 759' ' ' PRO . 75.0 mtp180 -74.66 -32.29 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.59 ' CD1' ' SD ' ' A' ' 753' ' ' MET . 10.7 m-85 -111.71 -8.21 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 780' ' ' PHE . 2.2 t -51.38 -25.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -20.13 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.72 155.42 93.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.385 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.01 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.568 ' CE2' HG22 ' A' ' 775' ' ' VAL . 1.7 t80 -76.04 -48.85 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -58.89 -21.96 58.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.38 -37.51 77.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 750' ' ' PHE . 25.4 mm -74.15 97.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 40.9 p -67.05 -48.04 69.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.99 116.68 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.06 -40.45 97.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 32.6 p -59.93 -33.88 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 788' ' ' GLU . 0.1 OUTLIER -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.547 ' HB3' ' CH2' ' A' ' 767' ' ' TRP . 12.3 mtp180 -68.37 -42.48 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -64.86 -47.04 79.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -65.29 -43.75 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -41.24 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.599 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 18.4 t80 -62.26 -45.42 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -57.8 -44.3 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.81 -40.45 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -61.19 -44.09 97.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -62.3 -40.61 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.51 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.0 t60 -59.69 -45.2 92.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 20.2 t -67.29 -34.78 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.32 -45.37 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.5 pt-20 -66.75 -42.16 86.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 26.2 m-70 -70.11 -33.67 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.26 -43.0 92.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 8.4 t -90.8 26.04 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -104.2 45.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 42.51 38.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 56.7 p -173.95 164.8 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -88.21 159.88 30.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.81 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 m -100.46 120.64 40.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 52.3 p -110.68 176.33 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 29.9 t -113.98 116.67 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.8 t -92.98 91.08 7.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -143.99 -98.7 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 18.1 m -98.25 113.49 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 31.3 t -91.74 44.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -88.19 -58.06 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -65.88 -42.85 89.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.09 -44.89 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 15.9 mtpp -65.2 -46.55 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -58.95 -44.41 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.5 t -61.93 -44.89 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -65.32 -49.26 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -60.83 -42.31 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 4.9 m -59.71 -45.25 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -59.49 -42.92 93.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' A' ' 796' ' ' PHE . 78.7 mt -59.18 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . 0.481 ' HG2' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -67.49 -32.36 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -80.68 5.91 14.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -80.07 154.81 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.45 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -144.52 122.86 6.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.69 170.04 60.08 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.419 -0.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.56 33.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 800' ' ' LEU . 84.8 mt -38.24 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.83 158.49 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.17 27.0 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 157.46 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.97 141.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.571 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.0 t-105 -51.44 -53.03 41.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.33 -22.04 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 772' ' ' GLU . 26.9 t70 -80.16 -21.1 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.519 HD13 ' CD1' ' A' ' 793' ' ' PHE . 17.6 pt -110.06 -18.64 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.7 ptm180 -64.99 -46.32 81.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 5.3 pm0 -59.3 -24.75 63.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -75.82 -32.46 59.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.3 6.26 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.557 HG21 ' CE1' ' A' ' 780' ' ' PHE . 9.9 p -52.62 -15.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -37.55 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -40.4 154.22 0.2 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -39.08 7.07 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.26 82.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.557 ' CE1' HG21 ' A' ' 775' ' ' VAL . 28.0 t80 -74.26 -42.66 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -24.26 67.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.21 -42.1 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.494 ' O ' ' NE ' ' A' ' 789' ' ' ARG . 11.2 mm -81.45 101.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.3 p -76.65 -37.72 55.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.04 115.78 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.416 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 30.5 tt0 -57.82 -41.47 82.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.9 p -59.92 -36.42 76.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.91 -40.7 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 28.1 mtt85 -71.13 -35.18 71.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -70.18 -46.85 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -47.6 85.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.88 -41.0 87.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.593 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.8 t80 -59.16 -44.72 92.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -65.34 -39.4 92.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 754' ' ' LEU . 3.3 t80 -62.09 -39.95 94.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.593 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.7 mtp -68.59 -39.25 81.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.646 ' NE2' ' CE1' ' A' ' 802' ' ' HIS . 2.0 t60 -59.81 -45.39 92.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 13.5 t -73.71 -35.43 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 761' ' ' ILE . 15.4 tp -54.45 -47.45 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 19.1 pt-20 -74.45 -36.57 63.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.646 ' CE1' ' NE2' ' A' ' 798' ' ' HIS . 7.8 m-70 -59.37 -41.93 90.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.63 -43.95 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.61 -50.3 70.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -60.39 127.79 33.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -55.56 119.73 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 17.3 t -157.57 126.95 5.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 91.4 -161.33 27.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 131.5 21.34 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.619 2.212 . . . . 0.0 112.32 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 66.8 m -42.11 122.3 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 42.2 m -80.02 151.44 29.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.7 m -73.99 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 91.8 p -90.56 154.87 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -103.13 -141.43 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 32.5 p -95.18 87.33 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.0 m -110.63 99.88 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -129.99 -72.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -69.89 -35.39 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -73.85 -37.6 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 40.7 mttp -67.72 -45.65 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.75 -45.24 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 17.9 t -62.04 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.4 77.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.547 ' CD1' HD13 ' A' ' 754' ' ' LEU . 36.7 t80 -65.03 -49.08 71.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.03 -44.39 97.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.4 t -60.58 -38.75 85.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 47.4 ttp -62.96 -44.19 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.547 HD13 ' CD1' ' A' ' 750' ' ' PHE . 17.6 mt -63.44 -42.61 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -62.57 -35.93 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -90.8 8.44 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.41 156.3 37.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.446 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -143.82 124.48 7.84 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.594 0.711 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.68 169.95 60.49 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.327 -0.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.13 27.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 98.0 mt -49.94 104.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.08 167.56 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.2 -30.18 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -97.54 28.86 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.84 146.69 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.0 t -102.59 140.43 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.559 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.3 t-105 -50.91 -53.29 33.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 79.7 mt-10 -66.89 -23.6 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . 0.443 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 6.5 t70 -77.53 -19.86 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 793' ' ' PHE . 18.9 pt -113.16 -17.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.52 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.5 ptm180 -63.36 -51.06 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.8 tt0 -54.77 -22.52 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -74.13 -34.07 63.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -109.32 -4.69 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.5 t -56.56 -22.77 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -90.04 -19.65 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.57 153.68 91.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -38.41 7.72 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -56.36 -40.12 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 0.9 OUTLIER -75.89 -44.14 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.02 -22.08 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.86 -34.33 77.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 46.3 mm -81.86 96.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 71.5 p -67.93 -47.12 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.05 118.62 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.93 -39.34 94.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.4 p -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -60.48 -42.02 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 40.3 mtt180 -69.03 -41.55 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -63.27 -46.61 86.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.22 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.27 -41.21 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 41.5 t80 -60.03 -43.4 95.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -61.27 -45.06 96.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -64.17 -41.83 96.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -61.16 -40.58 94.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.2 mtp -66.07 -40.16 90.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.4 t60 -59.41 -45.72 90.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 11.5 t -72.73 -35.07 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.6 tp -54.63 -46.0 73.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 13.9 pt-20 -73.6 -42.08 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.479 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 9.2 m-70 -62.24 -33.93 75.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -74.08 -45.66 47.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 805' ' ' GLN . 58.1 m -71.91 -61.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 804' ' ' CYS . 15.7 mm-40 37.24 50.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -121.5 -57.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 36.4 p -50.11 143.08 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . 0.441 ' N ' ' HD2' ' A' ' 809' ' ' PRO . . . -73.68 -61.14 3.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 808' ' ' GLY . 53.8 Cg_endo -69.72 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 70.3 m -118.74 -45.27 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.0 m -76.4 107.71 8.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 14.1 m -58.82 -46.39 87.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 77.2 p -83.49 118.09 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -145.23 -62.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 58.6 p -113.99 91.93 3.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 85.7 p -84.08 168.16 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . 0.469 ' C ' ' NZ ' ' A' ' 746' ' ' LYS . . . 145.15 122.62 1.55 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 51.8 mtm -61.57 -22.79 65.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -67.99 -42.46 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -72.17 -40.52 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.469 ' NZ ' ' C ' ' A' ' 742' ' ' GLY . 2.5 mtmp? -67.59 -44.06 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.88 -45.46 74.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 15.6 t -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.27 86.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.518 ' CD1' HD12 ' A' ' 754' ' ' LEU . 37.3 t80 -61.94 -48.92 78.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -62.64 -47.43 83.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.6 t -61.17 -37.67 83.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 39.3 ttp -62.63 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.557 HD22 ' CE2' ' A' ' 774' ' ' PHE . 14.5 mt -63.16 -41.54 99.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -68.15 -28.75 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -82.89 -6.95 59.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -68.52 166.09 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.424 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -153.66 123.59 3.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.512 0.672 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.76 170.06 60.34 Favored 'Cis proline' 0 C--O 1.231 0.133 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.375 0.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 142.2 47.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 70.1 mt -47.82 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -64.68 164.3 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.35 -29.0 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -99.29 28.96 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -93.53 146.38 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 59.9 t -102.82 143.73 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.0 t-105 -51.14 -53.35 35.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.432 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.9 mt-10 -67.61 -21.93 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . 0.401 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 14.5 t0 -81.86 -16.29 51.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 793' ' ' PHE . 15.9 pt -115.04 -19.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 775' ' ' VAL . 5.3 ptm180 -62.33 -44.18 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.6 tt0 -54.63 -24.11 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 30.3 mtp85 -73.11 -33.98 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.557 ' CE2' HD22 ' A' ' 754' ' ' LEU . 6.6 m-85 -109.1 -4.32 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.3 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -101.72 -8.88 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.93 152.55 68.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -39.13 6.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.42 84.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 0.2 OUTLIER -75.73 -35.13 60.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.34 -21.77 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 9.5 t0 -65.87 -35.85 81.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 789' ' ' ARG . 11.6 mm -74.9 98.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 18.3 p -64.15 -48.08 77.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.75 118.54 16.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.41 -35.18 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 73.9 p -61.44 -35.62 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -59.97 -40.15 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 29.9 mtm180 -71.59 -38.98 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . 0.49 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 8.4 ttmt -64.44 -46.03 84.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.36 -46.11 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -41.29 88.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.3 t80 -59.43 -45.15 92.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -59.83 -45.38 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -61.81 -42.92 99.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.0 t80 -60.92 -37.97 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.7 mtp -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.5 t60 -60.24 -45.22 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 18.8 t -67.3 -34.7 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.63 -45.32 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.5 pt-20 -66.92 -42.53 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -70.25 -33.58 71.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -75.74 -40.01 56.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 9.0 m -106.65 42.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -74.55 128.38 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 57.85 33.56 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 32.1 t -133.67 153.58 51.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -102.63 121.56 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.81 18.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.268 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 3.2 t -157.67 131.91 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 37.9 t -154.67 129.36 9.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.425 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 37.7 t 57.12 42.85 25.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.9 t -146.38 146.95 30.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 121.08 66.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 124.23 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 11.5 p -76.3 155.61 34.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -121.3 -165.34 12.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -63.6 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.85 95.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -67.08 -36.65 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -68.36 -47.1 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.23 -48.47 80.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 13.6 t -62.05 -43.83 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.55 74.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.466 ' CD2' HD11 ' A' ' 754' ' ' LEU . 49.7 t80 -66.03 -48.6 70.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -60.26 -44.31 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 p -59.84 -44.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 42.2 ttp -59.37 -44.03 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 750' ' ' PHE . 22.7 mt -61.26 -35.92 78.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.55 -36.09 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -80.82 -0.77 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.09 153.24 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.442 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -142.39 124.35 8.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.7 169.94 60.61 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 128.96 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 87.0 mt -37.95 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.79 -175.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 61.7 mt -84.41 -18.84 34.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.92 27.72 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.18 143.84 27.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 49.8 t -102.85 140.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.564 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -51.09 -53.09 37.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.415 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 43.2 mt-10 -64.85 -24.14 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.64 -24.77 56.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.524 HD12 ' CD1' ' A' ' 793' ' ' PHE . 18.1 pt -107.63 -17.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.415 ' CD ' ' HA ' ' A' ' 768' ' ' GLU . 4.2 ptm180 -63.95 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.87 -21.95 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -76.08 -30.06 58.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 776' ' ' LYS . 4.5 m-85 -107.39 -7.73 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.533 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 6.7 p -35.44 -33.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 774' ' ' PHE . 18.5 mmmt -96.27 -40.54 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.4 mm-40 -37.23 148.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -38.65 7.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.21 91.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 1.1 t80 -72.87 -42.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.21 -24.46 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -35.3 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.452 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 29.9 mm -87.93 72.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.9 OUTLIER -47.51 -40.12 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.437 ' N ' ' CG2' ' A' ' 784' ' ' THR . 0.2 OUTLIER -74.66 104.0 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 787' ' ' SER . 8.5 pt-20 -51.88 -34.99 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 80.2 p -59.82 -39.47 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.439 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 26.7 mm-40 -59.95 -37.7 80.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 25.9 mtt85 -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -66.22 -45.24 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -63.52 -47.46 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.88 -41.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.564 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 55.7 t80 -60.07 -43.4 95.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -61.44 -44.73 96.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.69 -42.1 98.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -61.59 -40.75 95.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.543 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 38.2 mtp -65.43 -40.76 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.1 t60 -59.43 -45.67 90.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.84 -35.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 11.7 tp -54.54 -46.05 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 8.2 pt-20 -73.58 -42.09 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 8.2 m-70 -59.73 -38.77 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.02 -46.7 33.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 69.0 m -78.98 46.49 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -92.5 -26.93 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -122.9 177.73 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 73.1 m -51.39 125.71 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -146.78 -172.2 16.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.727 2.285 . . . . 0.0 112.286 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 p -69.11 153.47 43.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 36.4 p -58.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 11.6 t -113.29 -50.63 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.827 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 59.5 p 42.97 41.87 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 125.92 111.27 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 2.9 m -111.96 109.66 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.0 t -163.48 107.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -166.69 114.24 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.89 -31.97 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.29 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -68.83 -42.9 76.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -61.03 -46.58 90.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -64.38 -39.22 93.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 47.7 t -63.46 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.24 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -63.48 -48.95 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -65.03 -43.21 93.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.0 m -60.63 -38.05 83.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' MET . . . . . 0.433 ' SD ' ' CB ' ' A' ' 777' ' ' GLU . 42.2 ttp -66.02 -44.79 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.509 HD22 ' CE2' ' A' ' 774' ' ' PHE . 60.0 mt -59.07 -39.26 81.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.83 10.18 10.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.19 175.85 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.457 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -160.54 124.61 2.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.83 169.54 63.15 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.355 0.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.74 19.89 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.454 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 84.3 mt -40.75 105.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -68.53 -175.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.68 -17.17 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -113.68 28.03 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -84.48 139.95 31.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 82.0 t -105.13 142.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.515 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.6 t-105 -52.35 -52.96 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -65.77 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.95 -23.49 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.509 HD13 ' CE1' ' A' ' 793' ' ' PHE . 18.9 pt -107.11 -19.2 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -63.53 -39.72 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.0 -31.7 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -72.88 -29.98 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.509 ' CE2' HD22 ' A' ' 754' ' ' LEU . 6.3 m-85 -112.26 8.39 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 771' ' ' ARG . 7.8 p -57.64 -11.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -115.91 -26.93 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.433 ' CB ' ' SD ' ' A' ' 753' ' ' MET . 5.7 mm-40 -49.32 153.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -39.23 6.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.04 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.14 -43.54 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -61.83 -25.4 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.02 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.11 113.48 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.8 p -89.03 -56.2 3.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 788' ' ' GLU . 0.7 OUTLIER -49.98 125.26 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -60.86 -44.96 96.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 72.7 p -61.99 -33.1 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 785' ' ' LEU . 4.1 mm-40 -60.07 -42.48 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.04 -41.38 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -65.11 -44.88 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -60.95 -46.81 89.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.67 -42.7 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.536 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 39.1 t80 -60.59 -42.8 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -62.12 -43.93 97.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.28 -41.77 97.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 8.5 t80 -61.37 -47.96 83.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.536 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.4 mtp -60.13 -39.58 86.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.2 t60 -59.84 -45.37 92.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.62 -34.44 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.26 -45.46 93.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.1 pt-20 -66.4 -40.03 89.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.479 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 42.1 m-70 -72.33 -36.22 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.36 -33.09 49.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.76 -24.08 28.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.6 -66.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -38.5 -66.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 94.8 p -120.47 110.21 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 139.8 85.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 97.39 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.3 p -118.77 45.28 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.785 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 35.1 t -103.31 101.51 11.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 5.9 t -50.24 171.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 738' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 739' ' ' GLY . 32.7 t -97.32 81.43 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 738' ' ' SER . . . 35.76 -105.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 92.7 p 42.28 49.68 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 96.1 p -132.0 47.61 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 90.25 -51.53 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' MET . . . . . 0.442 ' HA ' ' NZ ' ' A' ' 746' ' ' LYS . 21.0 ptp -61.02 -28.93 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.803 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -43.67 98.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -73.6 -31.58 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.442 ' NZ ' ' HA ' ' A' ' 743' ' ' MET . 6.4 mtmp? -67.46 -46.77 72.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.44 -43.06 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.8 p -61.42 -45.95 92.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.95 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 754' ' ' LEU . 34.4 t80 -63.86 -48.68 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -62.2 -47.2 85.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.1 t -59.87 -36.44 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' MET . . . . . 0.531 ' SD ' ' CG ' ' A' ' 774' ' ' PHE . 15.3 tmm? -66.81 -39.66 87.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 750' ' ' PHE . 33.7 mt -67.25 -44.2 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 756' ' ' GLN . 9.5 pttm -67.2 -36.08 80.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 755' ' ' LYS . 6.5 pt20 -80.94 0.04 37.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.14 154.98 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.428 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -138.55 122.69 11.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.654 0.74 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.73 169.97 60.62 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 127.68 14.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 77.2 mt -41.43 105.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.47 -177.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 59.0 mt -78.64 -22.31 47.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -105.66 27.37 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -85.34 145.3 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 28.6 t -108.49 142.94 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.533 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.1 t-105 -51.26 -53.05 39.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.458 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 57.4 mt-10 -65.23 -24.47 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -74.75 -25.31 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.4 ' CD1' HD23 ' A' ' 754' ' ' LEU . 15.7 pt -106.61 -19.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.9 ptm180 -62.91 -35.94 81.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.09 -30.47 70.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -72.78 -31.84 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.531 ' CG ' ' SD ' ' A' ' 753' ' ' MET . 7.6 m-85 -109.04 0.26 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 771' ' ' ARG . 7.1 p -40.77 -32.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 777' ' ' GLU . 20.9 mmtt -93.35 -35.07 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 776' ' ' LYS . 57.9 mm-40 -35.79 149.23 0.13 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -36.43 10.84 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.82 2.347 . . . . 0.0 112.286 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.36 71.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.555 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.9 t80 -75.72 -50.99 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -65.54 -21.84 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.85 -41.1 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.439 HG21 ' CG ' ' A' ' 789' ' ' ARG . 12.6 mm -74.85 86.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 17.4 p -54.58 -39.3 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.74 121.26 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.94 -39.85 95.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 1.2 m -59.93 -33.36 71.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.401 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 16.9 mm-40 -60.88 -39.93 91.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.555 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 36.6 mtm180 -71.58 -40.87 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -62.71 -45.8 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -62.13 -47.89 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.09 -40.98 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 57.0 t80 -59.2 -43.3 92.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -62.56 -45.34 93.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -66.44 -39.21 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -62.15 -43.11 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.573 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 42.5 mtp -65.65 -39.12 91.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.5 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.3 t60 -60.31 -45.07 94.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 5.3 t -66.97 -34.82 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.22 -45.21 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.84 -42.27 86.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 27.7 m-70 -70.77 -33.62 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -34.24 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.21 44.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -90.04 -46.82 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -95.63 52.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 4.0 t 58.05 52.96 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -53.3 146.11 20.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 810' ' ' SER . 53.5 Cg_endo -69.67 2.64 3.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 809' ' ' PRO . 2.5 m -34.39 -40.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.8 t -76.79 111.3 12.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 60.3 p -147.3 118.44 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.935 0.398 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.1 m -81.46 115.84 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -179.9 -71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 23.1 t -148.91 156.53 42.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 36.7 p -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 167.24 41.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 29.9 tpp -65.04 -45.02 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -65.43 -44.73 86.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -67.25 -45.73 75.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.2 -47.1 87.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.03 -40.4 96.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 20.4 m -62.01 -45.83 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.65 81.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -62.18 -49.27 76.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -60.15 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.3 m -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 39.2 ttp -60.05 -41.43 92.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 761' ' ' ILE . 18.0 mt -67.45 -37.5 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -63.52 -36.09 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -86.94 5.43 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.0 147.05 47.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.438 ' O ' ' NH2' ' A' ' 773' ' ' ARG . . . -135.06 124.51 16.51 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.78 169.43 63.46 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.381 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 136.53 33.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 79.3 mt -45.21 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.55 -175.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 30.7 mt -84.68 -33.94 23.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.85 36.24 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.72 149.79 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.5 t -103.34 136.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.557 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.3 t-105 -54.03 -51.19 64.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.433 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.2 mt-10 -66.16 -21.91 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . 0.438 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 10.9 t70 -82.15 -21.2 36.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 793' ' ' PHE . 19.5 pt -107.81 -19.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.465 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.1 ptm180 -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.515 ' HA ' ' CG1' ' A' ' 775' ' ' VAL . 15.8 pt-20 -53.73 -19.57 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 758' ' ' ALA . 73.5 mtp180 -81.27 -26.83 35.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 8.1 m-85 -111.45 -8.25 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 772' ' ' GLU . 1.2 m -37.46 -43.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 777' ' ' GLU . 3.1 mmmm -78.5 -44.59 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 776' ' ' LYS . 78.6 mm-40 -34.46 151.11 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -38.97 6.94 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.282 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.16 -36.09 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 4.8 t80 -75.48 -46.75 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.44 -24.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.87 -41.29 91.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.455 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 11.1 mm -80.37 103.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 16.5 p -75.27 -43.45 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.1 mp -70.89 119.95 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.429 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.5 pt-20 -61.22 -39.02 88.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.4 p -59.87 -34.61 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.6 -42.17 98.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 767' ' ' TRP . 32.6 mtt85 -69.03 -36.13 77.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -70.14 -46.89 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.99 -44.5 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.86 -44.03 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 770' ' ' ILE . 41.0 t80 -58.66 -45.47 89.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.28 -44.15 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.96 -43.08 99.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -60.77 -40.05 91.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.545 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.3 mtp -64.07 -41.36 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 8.1 t60 -59.92 -45.47 92.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.8 -34.85 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.4 -45.28 94.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.4 pt-20 -67.11 -41.54 86.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.425 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 26.7 m-70 -70.87 -33.43 70.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.13 -45.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 93.1 m -111.84 74.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.29 166.73 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 55.97 53.39 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 87.9 p -98.09 -36.69 10.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -173.7 -158.58 18.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 15.6 m -117.86 109.34 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.784 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 54.3 p -117.91 -42.91 2.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.46 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 53.4 m -127.31 169.77 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 61.7 p -144.24 125.69 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.59 1.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.2 m -153.88 126.61 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 62.3 p -94.17 43.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -104.73 139.33 14.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 4.1 ptp -65.83 -44.04 86.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -62.07 -41.53 98.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.84 -39.24 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.426 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 20.6 mttm -68.23 -49.6 59.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.61 -43.36 97.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.7 t -61.92 -45.98 91.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.537 ' CE2' HD12 ' A' ' 754' ' ' LEU . 37.5 t80 -61.27 -49.01 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -63.69 -44.86 92.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 34.5 t -59.78 -41.77 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 14.5 tmm? -62.81 -40.85 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 750' ' ' PHE . 50.9 mt -63.33 -36.88 85.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -69.06 -35.95 77.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -86.76 12.06 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.16 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.446 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -132.2 124.38 19.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.76 170.36 58.87 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.62 -1.825 . . . . 0.0 112.381 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.99 36.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.28 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 43.2 mt -55.18 105.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -70.68 -179.36 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -77.24 -29.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -99.85 32.61 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -96.3 139.25 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 767' ' ' TRP . 24.1 t -98.45 144.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.571 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 12.2 t-105 -54.55 -45.41 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.16 -21.85 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.97 -35.43 50.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 16.2 pt -100.07 -15.26 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 775' ' ' VAL . 1.2 ttt-85 -65.01 -52.74 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.81 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 775' ' ' VAL . 8.8 tp10 -54.65 -35.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -62.06 -33.93 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 10.9 m-85 -105.18 -8.57 18.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.495 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 1.9 t -47.91 -26.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -93.9 -20.48 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 774' ' ' PHE . 75.2 mm-40 -64.63 149.38 95.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -38.31 8.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.72 71.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 4.5 t80 -76.17 -51.26 12.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -63.91 -21.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . 0.426 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 10.2 t0 -65.24 -10.15 29.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.423 ' CG2' ' HG2' ' A' ' 789' ' ' ARG . 18.5 mm -97.71 91.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.2 p -58.54 -46.27 87.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.6 mp -80.11 115.56 19.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -59.04 -35.41 73.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.5 p -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -60.82 -40.51 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.423 ' HG2' ' CG2' ' A' ' 783' ' ' ILE . 17.0 mtm180 -70.64 -38.04 73.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.71 -46.14 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -64.96 -46.16 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.96 -40.83 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.597 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.6 t80 -61.1 -45.34 95.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -59.8 -45.14 93.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.46 -41.05 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 10.9 t80 -61.97 -40.19 94.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.597 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 30.8 mtp -65.94 -41.47 91.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.1 t60 -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 9.6 t -67.02 -34.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.25 -45.47 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.6 pt-20 -66.42 -42.2 88.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.5 m-70 -71.18 -33.68 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.8 -45.33 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 6.5 m -53.5 -47.08 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . 0.567 ' HG2' ' CD2' ' A' ' 806' ' ' HIS . 25.3 tt0 -95.26 146.26 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 805' ' ' GLN . 0.1 OUTLIER -43.11 151.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 69.2 m -120.2 -57.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 89.76 -162.92 30.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -21.69 33.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 m -62.22 166.84 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 14.1 p -97.25 -55.07 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.44 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 8.5 t -41.84 117.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 8.5 p -100.95 -20.86 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 168.56 -141.58 6.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 56.2 m -98.97 85.83 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.9 m -131.75 154.94 48.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -106.07 -39.09 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.54 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 22.1 tpp -64.07 -39.25 93.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -67.35 -41.3 85.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -71.46 -48.64 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 23.4 mttm -62.93 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.99 -46.86 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 21.6 m -61.76 -41.47 97.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.481 ' CD1' HD11 ' A' ' 754' ' ' LEU . 50.8 t80 -64.95 -49.13 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -60.01 -45.11 93.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 t -61.37 -40.68 95.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.39 -41.5 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 750' ' ' PHE . 17.2 mt -65.4 -38.58 90.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.28 -36.13 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.51 4.35 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 149.33 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.182 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.438 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -136.86 123.23 13.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.72 170.07 60.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.307 0.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.79 38.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.215 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 72.5 mt -49.03 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.49 -174.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.6 mt -84.25 -28.64 27.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.73 35.66 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -99.19 140.04 33.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.418 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 96.6 t -101.74 150.3 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.31 -53.17 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.451 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.4 mt-10 -65.38 -21.98 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . 0.418 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.1 m-20 -78.84 -26.94 44.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' A' ' 793' ' ' PHE . 17.5 pt -103.54 -20.17 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.533 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 6.4 ptm180 -63.68 -50.88 67.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.533 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 8.1 tp10 -53.76 -19.53 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . 0.414 ' NH2' ' HD2' ' A' ' 759' ' ' PRO . 27.9 mtp180 -81.39 -26.94 35.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 777' ' ' GLU . 10.3 m-85 -111.13 -8.16 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 772' ' ' GLU . 1.3 m -38.01 -38.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -83.53 -33.59 25.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 774' ' ' PHE . 6.7 mm-40 -48.36 149.6 2.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.76 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -38.98 6.9 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.26 76.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.599 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 t80 -75.79 -46.08 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.12 -21.9 66.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.88 -27.76 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 14.9 mm -96.1 88.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.8 p -57.31 -32.89 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.476 ' CB ' ' HG2' ' A' ' 788' ' ' GLU . 6.1 mt -78.87 107.85 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' SER . . . . . 0.475 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 72.4 p -62.52 -36.8 83.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.476 ' HG2' ' CB ' ' A' ' 785' ' ' LEU . 56.2 mm-40 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.599 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 39.9 mtm180 -67.7 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -61.36 -46.48 90.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -65.12 -44.83 87.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.81 -40.97 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 13.5 t80 -62.61 -43.94 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -57.94 -45.48 86.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -61.56 -40.41 94.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.1 t80 -60.82 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.8 mtp -64.35 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.01 -45.2 93.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 23.1 t -67.27 -34.68 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -60.5 -45.27 94.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 27.5 m-70 -70.44 -33.61 71.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -68.15 -39.87 82.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.44 -43.79 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.01 41.35 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 39.86 42.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 1.2 t -110.43 168.69 9.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -155.59 145.19 11.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.53 69.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.5 t -49.2 -49.44 42.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.8 t -71.42 134.4 46.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 55.8 m -104.16 115.18 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 29.3 t -157.33 151.15 24.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -167.92 130.36 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.4 m -106.51 111.44 24.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 39.4 m -103.71 -9.87 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 97.31 -109.09 3.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 44.3 mtt -65.7 -33.7 76.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -67.42 -39.71 85.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.14 -41.93 85.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -65.88 -46.42 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -62.75 -48.73 77.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.12 -45.52 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 9.7 t -60.0 -39.13 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 37.1 ttp -62.84 -43.97 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.33 -41.57 93.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -68.96 -28.77 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -83.99 1.49 43.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -75.05 172.37 12.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.436 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -157.83 124.73 2.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.8 169.75 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.618 -1.826 . . . . 0.0 112.346 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 761' ' ' ILE . 54.2 Cg_endo -69.76 130.52 19.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 760' ' ' PRO . 85.6 mt -35.09 105.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.14 -176.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.65 -21.42 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.19 28.4 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 141.03 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 767' ' ' TRP . 39.6 t -95.11 142.29 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -50.98 -53.13 35.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.46 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 83.9 mt-10 -65.29 -22.0 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . 0.403 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.6 m-20 -79.26 -22.14 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 793' ' ' PHE . 21.5 pt -111.21 -15.07 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.462 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 4.9 ptm180 -65.19 -46.36 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 2.6 pp20? -54.59 -22.42 13.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . 0.409 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 32.7 mtm180 -72.97 -33.0 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.31 -5.34 14.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 771' ' ' ARG . 2.6 t -55.32 -17.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -100.07 -21.89 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.98 153.42 95.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -37.62 8.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.13 72.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.3 t80 -76.01 -46.8 27.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.84 -22.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -28.61 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 10.8 mm -87.03 99.19 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -72.56 -38.07 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 784' ' ' THR . 0.2 OUTLIER -78.78 109.95 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.09 -35.83 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.1 p -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -60.29 -44.91 94.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 43.2 mtm180 -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -69.04 -46.46 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -63.42 -44.56 94.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.92 -44.37 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 33.8 t80 -58.73 -45.13 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -58.18 -45.07 88.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.2 t80 -63.76 -39.56 94.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.3 mtp -66.39 -41.46 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.606 ' NE2' ' CE1' ' A' ' 802' ' ' HIS . 3.8 t60 -59.83 -45.35 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 12.0 t -73.0 -35.17 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 13.7 tp -55.01 -46.68 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 21.9 pt-20 -74.1 -37.88 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.606 ' CE1' ' NE2' ' A' ' 798' ' ' HIS . 7.6 m-70 -59.18 -41.59 88.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -74.07 -46.82 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 3.4 t -91.79 36.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.41 -47.87 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -85.37 -39.28 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 66.5 m -50.64 -47.7 58.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.783 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -108.62 142.89 16.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 810' ' ' SER . 54.6 Cg_endo -69.72 153.33 69.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.733 2.288 . . . . 0.0 112.371 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 809' ' ' PRO . 16.7 m 35.53 50.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 39.4 t -68.2 -43.73 77.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.7 t -69.07 90.53 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 65.4 p -160.04 146.53 15.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 142.11 151.83 5.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 73.0 m -106.69 -59.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 64.0 p -167.46 145.83 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 129.18 -139.07 10.69 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.47 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -69.16 -43.99 73.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.32 -42.08 84.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -61.06 -50.23 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . 0.413 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -60.97 -42.23 97.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.1 m -61.91 -44.3 97.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -65.34 -49.17 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -62.23 -38.21 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -66.02 -40.98 91.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 35.6 ttp -61.75 -43.27 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 761' ' ' ILE . 11.9 mt -65.23 -40.98 94.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -62.0 -35.41 78.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.7 8.96 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.31 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.422 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.76 123.9 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.196 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.0 Cg_endo -69.75 169.83 61.42 Favored 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.765 -1.765 . . . . 0.0 112.345 0.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.0 Cg_endo -69.84 126.64 13.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.613 2.208 . . . . 0.0 112.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 760' ' ' PRO . 56.8 mt -34.25 105.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.25 -177.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.61 -35.43 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.06 28.36 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -83.67 140.71 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 767' ' ' TRP . 38.6 t -100.08 141.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.556 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.1 t-105 -51.64 -52.46 47.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.434 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 26.9 mp0 -66.7 -23.04 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.5 -23.99 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.496 HD12 ' CE1' ' A' ' 793' ' ' PHE . 19.8 pt -107.3 -20.02 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.2 ptm180 -63.59 -45.29 91.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . 0.517 ' HA ' ' CG1' ' A' ' 775' ' ' VAL . 6.3 tp10 -53.8 -20.15 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -81.12 -26.8 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 776' ' ' LYS . 11.4 m-85 -111.76 -7.74 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.561 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 1.0 OUTLIER -37.44 -30.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 774' ' ' PHE . 27.1 mtmm -96.09 -41.81 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 776' ' ' LYS . 64.0 mm-40 -37.24 151.14 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -39.13 7.03 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.89 -38.54 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 0.6 OUTLIER -75.21 -41.44 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.78 -23.4 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.96 -39.71 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.46 ' O ' ' NE ' ' A' ' 789' ' ' ARG . 24.4 mm -81.77 107.47 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 3.0 p -79.78 -56.36 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 123.25 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.19 -39.62 90.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 59.6 p -65.13 -32.99 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.82 -41.9 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 64.4 mtt180 -72.18 -41.88 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -64.01 -46.23 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -60.77 -48.4 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.84 -41.87 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 35.0 t80 -60.72 -45.41 94.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -58.04 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.02 -39.36 89.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 36.0 mtp -65.02 -41.13 95.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.1 t60 -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 8.9 t -66.79 -34.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.55 -45.33 94.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -66.53 -42.28 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.6 m-70 -71.4 -33.49 69.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -77.84 -38.84 45.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 5.2 t -88.96 47.06 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 807' ' ' SER . 4.5 tp-100 -139.14 171.09 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 807' ' ' SER . 0.3 OUTLIER -38.43 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.7 t 34.1 54.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 68.05 -155.83 52.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.05 28.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 m -54.31 95.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 53.4 m -82.31 45.58 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.436 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 24.8 m -88.25 154.69 20.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.9 t -130.89 -52.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 177.79 -49.91 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 87.5 p -40.06 -47.47 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.771 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 93.8 p -70.11 152.58 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -113.72 40.08 2.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 23.4 ttm -63.65 -44.87 92.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -67.69 -41.99 82.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -68.42 -37.86 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -68.66 -47.55 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -64.3 -41.63 96.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 44.0 t -62.44 -42.22 99.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.21 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -62.64 -48.18 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -62.12 -46.2 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 755' ' ' LYS . 15.2 m -59.88 -43.83 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -59.84 -39.48 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.58 -40.37 95.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 752' ' ' SER . 7.5 pttp -76.32 -21.55 56.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -79.85 -9.93 59.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.17 165.98 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' ALA . . . . . 0.419 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -148.49 122.29 4.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.4 Cg_endo -69.68 170.04 60.05 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.388 -0.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 135.62 30.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 51.1 mt -38.24 105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.64 -175.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.96 -13.79 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.16 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.55 139.1 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 62.6 t -101.81 142.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' TRP . . . . . 0.559 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -51.13 -52.31 45.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 12.6 mt-10 -64.46 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -25.72 49.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' ILE . . . . . 0.402 ' HA ' ' CD ' ' A' ' 773' ' ' ARG . 26.6 pt -105.32 -19.02 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.4 ptm180 -64.94 -38.78 92.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.93 -27.34 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' ARG . . . . . 0.402 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 38.1 mtp180 -74.82 -32.39 61.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.11 0.02 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 771' ' ' ARG . 8.6 p -40.93 -33.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 777' ' ' GLU . 16.6 mmtt -90.63 -37.97 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 53.1 mm-40 -37.47 152.25 0.13 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.644 0.735 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.33 -36.81 78.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' PHE . . . . . 0.598 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 5.0 t80 -74.7 -47.18 32.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.49 -24.11 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.84 -40.77 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 789' ' ' ARG . 27.9 mm -83.43 111.72 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 6.6 p -85.17 -55.99 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' LEU . . . . . 0.401 ' HB2' ' CG ' ' A' ' 788' ' ' GLU . 0.5 OUTLIER -55.1 126.32 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -62.16 -45.88 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 88.0 p -60.73 -32.8 72.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' GLU . . . . . 0.401 ' CG ' ' HB2' ' A' ' 785' ' ' LEU . 39.9 mm-40 -59.76 -43.43 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' ARG . . . . . 0.598 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 60.4 mtt180 -72.03 -35.77 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 790' ' ' LYS . 0.9 OUTLIER -69.99 -40.3 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.0 -49.04 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.98 -41.04 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.186 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' PHE . . . . . 0.601 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.6 t80 -60.24 -45.27 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -59.78 -45.23 92.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.2 -38.09 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 9.0 t80 -62.49 -45.76 91.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' MET . . . . . 0.601 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.0 mtp -63.33 -39.5 94.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' HIS . . . . . 0.486 ' CD2' ' C ' ' A' ' 798' ' ' HIS . 2.3 t60 -60.39 -44.99 95.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 12.1 t -66.78 -34.89 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.33 -45.3 95.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.0 pt-20 -66.54 -41.8 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.7 m-70 -71.51 -33.57 69.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.05 -37.06 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.48 80.36 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 806' ' ' HIS . 3.9 pt20 -117.21 127.68 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 805' ' ' GLN . 5.1 m-70 -132.57 172.13 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 56.6 m -78.33 84.24 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -148.68 85.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.554 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.24 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 44.9 m -102.25 107.2 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 24.4 t -58.89 103.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.91 98.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -66.96 -41.15 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 p -61.92 -45.83 91.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.76 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' A' ' 754' ' ' LEU . 42.9 t80 -62.52 -48.46 79.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -59.56 -46.38 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.0 t -61.86 -36.9 82.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.439 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 44.0 ttp -63.21 -40.81 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 750' ' ' PHE . 20.4 mt -66.66 -38.51 87.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -65.88 -36.02 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -86.81 11.81 12.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -78.7 164.67 24.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.462 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -149.04 124.05 4.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.478 0.656 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.71 169.93 60.72 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 -1.789 . . . . 0.0 112.351 -0.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 760' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.6 Cg_endo -69.79 127.63 14.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 754' ' ' LEU . 32.0 mt -34.25 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.52 -178.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.61 -32.43 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.03 37.42 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.72 150.56 20.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 98.0 t -107.54 140.44 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.578 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -50.83 -53.23 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 20.8 mt-10 -66.16 -22.89 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.406 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 24.7 t70 -79.22 -19.77 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 793' ' ' PHE . 16.0 pt -112.8 -16.51 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.667 ' O ' HG23 ' A' ' 775' ' ' VAL . 6.2 ptm180 -65.09 -49.62 69.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 7.0 tt0 -54.76 -25.33 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -72.28 -33.65 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 14.9 m-85 -107.99 -5.5 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.7 t -58.26 -25.5 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -88.49 -8.53 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -85.69 154.02 58.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -37.37 9.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.439 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -56.86 -40.68 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.639 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.5 t80 -75.33 -46.0 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.93 -22.94 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.91 -33.92 76.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.436 HG21 ' CG ' ' A' ' 789' ' ' ARG . 8.9 mm -78.52 101.81 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 54.7 p -70.03 -45.5 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 118.29 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -61.57 -39.12 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 83.5 p -60.27 -34.49 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.94 -41.63 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.639 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.3 mtm180 -71.97 -35.38 69.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -68.25 -47.02 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 791' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 791' ' ' ARG . 3.0 tmt_? -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.21 -41.74 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 770' ' ' ILE . 26.6 t80 -60.57 -45.39 94.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -44.89 89.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.3 t70 -61.43 -42.57 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.3 t80 -61.12 -38.13 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.575 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.0 mtp -65.79 -41.43 91.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.8 t-80 -60.57 -45.01 95.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 795' ' ' ASP . 10.9 t -66.82 -34.93 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.49 -45.3 94.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.4 pt-20 -66.5 -42.19 87.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.0 m80 -71.27 -33.61 69.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 803' ' ' GLU . . . . . 0.574 ' HG2' HG12 ' A' ' 799' ' ' VAL . 26.9 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -67.17 -39.1 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 745' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 745' ' ' ARG . 7.5 mtp-105 -66.43 -46.13 77.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.51 -45.72 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -62.26 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.8 t -62.11 -41.34 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.51 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 754' ' ' LEU . 44.3 t80 -64.35 -48.95 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -61.29 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 25.2 t -60.29 -40.83 91.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.414 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 33.1 ttp -63.04 -41.38 99.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.71 ' HB3' HD11 ' A' ' 761' ' ' ILE . 58.6 mt -61.98 -40.87 97.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -66.83 -35.83 80.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -83.85 9.33 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -77.94 168.97 19.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.446 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -156.78 123.9 2.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.51 0.671 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.79 169.99 60.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.36 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.78 43.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 754' ' ' LEU . 75.7 mt -45.99 105.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.68 -175.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.61 -27.23 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -110.25 35.89 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.34 143.43 26.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 82.8 t -98.36 142.09 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 6.3 t-105 -52.22 -53.06 48.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 32.0 mt-10 -64.55 -21.83 66.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.433 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 80.5 m-20 -78.53 -25.32 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 793' ' ' PHE . 18.0 pt -107.5 -16.39 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.6 ptm180 -64.94 -50.87 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.9 pt-20 -54.66 -24.62 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -70.12 -31.42 68.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.485 ' CE2' HD23 ' A' ' 754' ' ' LEU . 14.0 m-85 -110.87 -8.25 14.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.5 t -52.4 -27.17 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -88.96 -16.38 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -77.93 153.41 80.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -37.61 9.04 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.425 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.414 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -55.92 -40.09 72.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 2.0 t80 -76.2 -48.03 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.95 -22.59 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.08 -30.92 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.423 HG21 ' HG3' ' A' ' 789' ' ' ARG . 21.2 mm -82.81 101.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 34.2 p -72.2 -40.39 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.1 116.02 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.84 -35.54 76.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 77.7 p -62.16 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.31 -41.7 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.2 mtm180 -70.75 -35.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 790' ' ' LYS . . . . . 0.415 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 6.4 ttmt -67.88 -46.93 70.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -63.27 -45.07 93.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.13 -42.43 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.8 t80 -60.21 -43.57 95.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -60.99 -45.31 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 799' ' ' VAL . 7.0 t0 -62.12 -43.05 99.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.698 ' CE1' HD12 ' A' ' 761' ' ' ILE . 2.4 t80 -60.88 -37.91 83.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -67.45 -38.09 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.9 t-80 -62.09 -45.23 94.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.2 t -67.1 -34.95 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.2 -45.4 94.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.4 pt-20 -66.42 -42.23 88.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.421 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.7 m80 -71.05 -33.61 70.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 803' ' ' GLU . . . . . 0.46 ' HG2' HG12 ' A' ' 799' ' ' VAL . 8.3 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -68.34 -40.55 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -68.98 -47.57 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.84 -49.68 75.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.97 -40.58 80.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 48.5 t -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.18 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 754' ' ' LEU . 43.0 t80 -65.14 -48.74 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -62.04 -42.11 98.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -60.77 -39.58 89.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 52.6 ttp -64.49 -44.16 91.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 750' ' ' PHE . 65.5 mt -58.76 -42.29 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -68.27 -36.05 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.71 11.21 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.49 165.78 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.452 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.23 123.85 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.5 Cg_endo -69.69 169.88 60.9 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.34 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.24 14.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.408 HG23 ' HB3' ' A' ' 765' ' ' ALA . 94.9 mt -37.21 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.71 -178.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.2 mt -78.55 -23.57 46.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.08 28.68 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 765' ' ' ALA . . . . . 0.408 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -85.17 141.84 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 69.7 t -104.75 146.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.38 -53.04 62.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 18.8 mt-10 -63.06 -22.13 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -78.26 -31.25 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 754' ' ' LEU . 22.4 pt -98.13 -19.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -64.73 -35.97 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.81 -25.53 66.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -76.99 -29.96 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.92 -2.47 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 771' ' ' ARG . 6.7 p -40.47 -36.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 777' ' ' GLU . 15.8 mtpt -89.47 -40.8 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 776' ' ' LYS . 59.6 mm-40 -35.19 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -38.81 7.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.472 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -58.8 -38.83 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -75.8 -41.46 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -64.58 -23.18 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.63 -37.35 76.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 6.4 mm -85.22 82.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 784' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -55.95 -37.34 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -79.1 116.34 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.42 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 0.1 OUTLIER -61.04 -35.02 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 92.9 p -59.94 -38.05 81.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 12.8 mt-10 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.521 ' HB3' ' CH2' ' A' ' 767' ' ' TRP . 25.1 mtt85 -69.04 -36.23 77.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 790' ' ' LYS . . . . . 0.429 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 7.1 ttmt -67.28 -46.67 72.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -62.27 -46.45 88.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.98 -41.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 53.5 t80 -60.27 -43.94 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -60.49 -45.18 94.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.5 t0 -63.74 -41.31 98.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 2.9 t80 -61.15 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.5 mtp -65.37 -39.83 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 2.7 t-80 -60.3 -44.94 94.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.1 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.25 -45.44 94.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.1 pt-20 -66.42 -42.53 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.2 m80 -70.94 -33.62 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 803' ' ' GLU . . . . . 0.591 ' HG3' HG12 ' A' ' 799' ' ' VAL . 7.4 mt-10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 20.8 ptt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -70.56 -45.17 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -70.14 -41.32 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.453 ' HB3' HD11 ' A' ' 783' ' ' ILE . 44.6 mttm -65.93 -48.43 71.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.43 -43.48 88.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 28.8 p -62.17 -46.27 89.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.31 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 754' ' ' LEU . 40.7 t80 -64.01 -48.97 74.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -61.95 -40.63 96.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.3 m -61.36 -42.63 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.462 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 57.0 ttp -61.9 -44.17 97.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 750' ' ' PHE . 33.0 mt -61.41 -36.02 79.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.53 -27.26 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -91.22 -7.92 49.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -61.78 143.52 56.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.473 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.74 124.67 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.76 169.94 60.93 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.389 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.04 32.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 754' ' ' LEU . 64.3 mt -44.8 105.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.81 -175.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 38.1 mt -85.97 -16.85 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -112.26 28.93 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.59 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.28 144.07 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.574 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.4 t-105 -53.79 -53.04 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 13.1 mt-10 -64.0 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.65 -26.65 50.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 18.7 pt -104.02 -19.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.3 ptm180 -64.94 -41.16 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -66.01 -28.32 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -74.02 -30.95 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 775' ' ' VAL . 6.4 m-85 -107.62 -5.57 17.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 776' ' ' LYS . 9.4 p -36.04 -46.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.532 ' N ' HG13 ' A' ' 775' ' ' VAL . 27.4 mmtt -74.18 -45.09 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.2 mm-40 -34.21 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -36.83 10.21 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.462 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -59.99 -37.09 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 2.1 t80 -76.01 -48.75 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.61 -22.01 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.82 -37.1 81.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 13.0 mm -89.25 77.31 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -47.55 -38.29 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -77.07 114.82 16.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 pt-20 -60.03 -35.93 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 78.6 p -60.12 -39.06 84.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.635 ' HG3' HD13 ' A' ' 785' ' ' LEU . 23.8 mm-40 -60.09 -39.74 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 29.0 mtt85 -70.09 -35.14 73.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 790' ' ' LYS . . . . . 0.418 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 11.8 ttmt -68.57 -46.95 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -59.62 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.04 -41.03 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 47.5 t80 -58.81 -44.06 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -61.79 -45.25 94.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.7 t70 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.3 t80 -61.1 -39.48 90.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.4 mtp -65.38 -41.2 94.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.481 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.5 t-80 -60.03 -45.04 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.6 t -66.84 -34.83 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.34 -45.46 94.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.7 pt-20 -66.43 -42.28 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.0 m80 -71.12 -33.73 70.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 803' ' ' GLU . . . . . 0.505 ' HG3' HG12 ' A' ' 799' ' ' VAL . 17.9 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 743' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 744' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.82 0.343 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 744' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 743' ' ' MET . 10.9 ttpt -67.54 -43.77 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.31 91.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.423 ' HB3' HD11 ' A' ' 783' ' ' ILE . 23.4 mttp -65.57 -50.56 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.75 -40.1 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 30.8 t -63.13 -42.46 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.87 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.54 -48.47 72.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -61.93 -42.92 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.3 t -61.82 -40.89 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 32.3 ttp -62.09 -42.55 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 761' ' ' ILE . 62.6 mt -62.3 -41.93 98.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -81.83 -9.27 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -58.03 157.84 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.422 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -147.98 122.02 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.488 0.661 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.2 Cg_endo -69.82 169.2 64.74 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.325 0.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 140.62 43.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.416 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.702 HD12 ' CE1' ' A' ' 796' ' ' PHE . 83.7 mt -42.45 105.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.8 -175.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.14 -30.1 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -108.46 32.67 4.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.57 151.1 22.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.66 139.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -51.0 -53.11 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.474 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.7 mm-40 -65.63 -21.85 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.46 -20.44 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.418 ' HB ' ' NH2' ' A' ' 773' ' ' ARG . 19.3 pt -112.91 -14.69 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 775' ' ' VAL . 4.8 ptm180 -65.13 -40.13 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.8 -22.65 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 773' ' ' ARG . . . . . 0.418 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 31.9 mtm180 -75.28 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 9.2 m-85 -107.16 -6.68 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.7 t -57.75 -23.22 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -2.87 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.77 154.44 47.95 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.705 0.764 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -36.7 10.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.66 78.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 1.0 OUTLIER -76.13 -44.88 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.99 -23.44 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.88 -18.56 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.492 HG21 ' HG2' ' A' ' 789' ' ' ARG . 36.2 mm -100.85 77.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.76 -36.87 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.679 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.3 OUTLIER -76.97 108.45 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.419 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.9 pt-20 -56.53 -35.06 67.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 99.1 p -59.95 -36.67 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.543 ' HG3' HD13 ' A' ' 785' ' ' LEU . 7.4 mm-40 -61.2 -38.63 87.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.562 ' HD2' ' CE2' ' A' ' 780' ' ' PHE . 20.3 mtt85 -71.69 -35.89 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 790' ' ' LYS . . . . . 0.447 ' HE2' ' CD1' ' A' ' 767' ' ' TRP . 9.7 ttmt -67.51 -46.17 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.07 -46.91 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.2 -41.3 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 45.1 t80 -59.05 -44.34 91.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -61.27 -45.33 94.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.617 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.1 t70 -65.25 -40.83 94.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.702 ' CE1' HD12 ' A' ' 761' ' ' ILE . 3.4 t80 -60.99 -42.2 97.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.0 mtp -66.24 -38.16 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 6.7 t60 -61.53 -45.06 95.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 795' ' ' ASP . 14.3 t -67.04 -34.87 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.32 -45.28 95.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.2 pt-20 -66.51 -42.25 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.5 m80 -71.04 -33.55 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 803' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 803' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 743' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 744' ' ' LYS . 10.7 ptp . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 744' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 743' ' ' MET . 12.5 ptpt -62.33 -34.14 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -69.56 -42.88 73.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 15.5 mtmt -64.78 -48.09 75.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.03 -43.33 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 58.7 m -61.99 -39.37 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.67 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.719 ' CE1' HD11 ' A' ' 754' ' ' LEU . 40.1 t80 -65.71 -49.42 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 751' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 754' ' ' LEU . 15.3 mtmt -61.83 -42.86 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.6 m -61.11 -41.78 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.827 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 41.8 ttp -59.89 -46.54 89.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.719 HD11 ' CE1' ' A' ' 750' ' ' PHE . 12.2 mt -61.25 -36.02 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -66.24 -36.07 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.45 8.03 42.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -71.38 137.78 48.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.47 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -125.38 124.79 25.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.3 Cg_endo -69.82 169.77 61.95 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.3 0.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.45 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.405 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 27.3 mt -47.94 105.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -68.51 -175.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 16.9 mt -81.0 -21.82 39.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.61 21.75 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -80.0 139.79 36.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.417 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 39.2 t -106.39 142.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.494 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.7 t-105 -52.21 -53.06 48.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.8 mt-10 -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.417 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 5.9 t70 -78.56 -22.38 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.478 HD12 ' HE2' ' A' ' 774' ' ' PHE . 15.5 pt -108.6 -20.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.8 ptm180 -63.23 -41.67 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.9 -31.8 71.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 773' ' ' ARG . 4.9 mtp-105 -71.38 -31.11 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 776' ' ' LYS . 11.1 m-85 -104.73 -6.35 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.565 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.0 p -37.71 -27.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 774' ' ' PHE . 14.9 mtpt -95.77 -45.11 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 776' ' ' LYS . 7.9 mm-40 -36.96 152.75 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 778' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 782' ' ' ASP . 54.1 Cg_endo -69.78 -34.32 14.75 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.827 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -61.14 -44.92 96.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.581 ' CE2' ' NH1' ' A' ' 789' ' ' ARG . 3.0 t80 -70.45 -44.24 68.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.71 -21.8 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 782' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 778' ' ' PRO . 12.5 m-20 -68.93 -29.15 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 22.2 mm -101.47 91.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 8.0 p -63.68 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.576 HD12 ' HG3' ' A' ' 788' ' ' GLU . 87.8 mt -71.84 98.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -51.31 -45.91 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 25.6 p -59.74 -41.73 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 785' ' ' LEU . 77.0 mm-40 -59.78 -36.4 76.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.581 ' NH1' ' CE2' ' A' ' 780' ' ' PHE . 46.5 mtm180 -72.14 -35.92 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -66.62 -47.01 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -63.21 -44.5 95.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.9 -40.88 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 15.8 t80 -62.61 -43.91 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -59.15 -45.36 91.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 799' ' ' VAL . 3.8 t70 -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 3.6 t80 -60.93 -39.33 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 39.7 mtp -64.42 -41.1 96.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.4 t-80 -60.75 -45.09 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 795' ' ' ASP . 23.0 t -66.96 -34.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.28 -45.45 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.55 -42.36 87.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.6 m80 -71.05 -33.57 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -62.33 -43.71 98.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -41.82 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -61.77 -51.01 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.02 -43.65 86.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.3 t -62.1 -36.04 80.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.13 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.604 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 20.3 t80 -64.78 -49.11 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -64.3 -43.66 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -38.3 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.467 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 40.3 ttp -63.88 -46.56 84.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' A' ' 761' ' ' ILE . 15.6 mt -61.8 -38.08 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -36.06 82.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -90.07 11.63 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.96 169.54 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.452 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -155.21 124.3 3.08 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.495 0.664 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.7 Cg_endo -69.73 169.97 60.63 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.784 -1.757 . . . . 0.0 112.314 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 760' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.3 Cg_endo -69.84 127.84 15.1 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 754' ' ' LEU . 69.7 mt -34.84 105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -64.82 177.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.1 mt -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.78 31.32 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.38 143.13 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.76 142.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.481 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -52.35 -53.04 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.438 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.5 mt-10 -64.85 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.79 -23.67 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 793' ' ' PHE . 22.5 pt -107.32 -18.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.6 ptm180 -64.89 -44.39 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 10.0 pt-20 -61.44 -27.46 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -74.51 -32.04 62.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -107.33 -2.55 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.527 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.8 p -40.51 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 777' ' ' GLU . 48.9 mttt -91.58 -41.04 11.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 776' ' ' LYS . 5.9 mm-40 -36.17 150.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 778' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.6 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.757 2.305 . . . . 0.0 112.28 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -66.83 -31.66 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 2.5 t80 -75.46 -51.16 13.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 781' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 3.9 pt-20 -65.12 -22.38 66.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.58 -25.43 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 26.1 mm -102.05 117.38 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.7 p -88.59 -54.7 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.63 HD12 ' CG ' ' A' ' 788' ' ' GLU . 0.6 OUTLIER -52.18 121.66 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -60.3 -40.21 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 787' ' ' SER . . . . . 0.455 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 0.7 OUTLIER -66.06 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.63 ' CG ' HD12 ' A' ' 785' ' ' LEU . 15.0 mm-40 -59.97 -42.32 93.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -72.1 -41.24 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -63.92 -46.99 82.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -60.45 -48.15 83.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.7 -41.01 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 38.2 t80 -60.89 -42.63 98.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.0 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.5 t70 -60.38 -41.07 93.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 761' ' ' ILE . 3.1 t80 -63.08 -45.23 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.6 mtp -63.26 -41.36 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.495 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.8 t-80 -59.73 -45.36 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 795' ' ' ASP . 98.5 t -65.07 -34.44 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.99 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.0 pt-20 -66.5 -40.06 89.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.482 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 35.9 m80 -72.43 -35.62 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.0 -40.14 94.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -66.99 -46.53 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 25.9 mttm -60.4 -47.82 84.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -59.02 -41.55 88.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -61.85 -45.48 93.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.99 72.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.573 ' CD2' HG13 ' A' ' 783' ' ' ILE . 11.5 t80 -62.18 -49.16 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -64.48 -46.65 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.8 t -59.89 -36.98 78.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 12.0 tmm? -65.42 -42.98 91.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.75 HD23 ' CE2' ' A' ' 774' ' ' PHE . 43.8 mt -59.58 -45.14 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -31.65 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -80.86 7.22 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.99 166.24 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.451 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.39 122.69 3.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.73 170.03 60.34 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.344 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 138.69 38.26 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 754' ' ' LEU . 93.9 mt -46.08 105.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.6 -178.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.45 -20.44 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -104.92 24.68 11.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -88.04 141.94 28.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 768' ' ' GLU . 88.7 t -104.64 147.17 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.1 t-105 -51.35 -48.25 62.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.492 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 27.2 mt-10 -68.86 -21.74 64.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.98 -18.03 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.634 HD11 ' CD1' ' A' ' 793' ' ' PHE . 14.9 pt -110.43 -20.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 775' ' ' VAL . 3.0 ptm180 -64.98 -43.65 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.1 tp10 -65.54 -21.64 66.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -74.66 -32.29 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.75 ' CE2' HD23 ' A' ' 754' ' ' LEU . 10.7 m-85 -111.71 -8.21 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.2 t -51.38 -25.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -20.13 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.72 155.42 93.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.385 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.01 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.736 ' CZ ' HG22 ' A' ' 775' ' ' VAL . 1.7 t80 -76.04 -48.85 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -58.89 -21.96 58.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.38 -37.51 77.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.626 HG21 ' HG3' ' A' ' 789' ' ' ARG . 25.4 mm -74.15 97.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 40.9 p -67.05 -48.04 69.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.99 116.68 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.06 -40.45 97.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 32.6 p -59.93 -33.88 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 788' ' ' GLU . 0.1 OUTLIER -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.626 ' HG3' HG21 ' A' ' 783' ' ' ILE . 12.3 mtp180 -68.37 -42.48 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -64.86 -47.04 79.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -65.29 -43.75 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -41.24 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.634 ' CD1' HD11 ' A' ' 770' ' ' ILE . 18.4 t80 -62.26 -45.42 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -57.8 -44.3 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.568 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.4 t0 -62.81 -40.45 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -61.19 -44.09 97.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -62.3 -40.61 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.6 t-80 -59.69 -45.2 92.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 795' ' ' ASP . 20.2 t -67.29 -34.78 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.32 -45.37 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.5 pt-20 -66.75 -42.16 86.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.419 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 39.3 m80 -70.11 -33.67 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 803' ' ' GLU . . . . . 0.53 ' HG3' HG12 ' A' ' 799' ' ' VAL . 5.5 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -65.88 -42.85 89.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.09 -44.89 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 783' ' ' ILE . 15.9 mtpp -65.2 -46.55 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -58.95 -44.41 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.5 t -61.93 -44.89 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.507 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 29.8 t80 -65.32 -49.26 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -60.83 -42.31 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 4.9 m -59.71 -45.25 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -59.49 -42.92 93.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.551 HD22 HD11 ' A' ' 761' ' ' ILE . 78.7 mt -59.18 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 755' ' ' LYS . . . . . 0.499 ' HG2' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -67.49 -32.36 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -80.68 5.91 14.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -80.07 154.81 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.471 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -144.52 122.86 6.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.69 170.04 60.08 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.419 -0.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.56 33.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.551 HD11 HD22 ' A' ' 754' ' ' LEU . 84.8 mt -38.24 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.83 158.49 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.17 27.0 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 157.46 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.97 141.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.585 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.0 t-105 -51.44 -53.03 41.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.33 -22.04 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 772' ' ' GLU . 26.9 t70 -80.16 -21.1 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' A' ' 793' ' ' PHE . 17.6 pt -110.06 -18.64 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.7 ptm180 -64.99 -46.32 81.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 5.3 pm0 -59.3 -24.75 63.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -75.82 -32.46 59.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.3 6.26 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.512 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.9 p -52.62 -15.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.402 ' HD2' HG12 ' A' ' 775' ' ' VAL . 0.0 OUTLIER -102.95 -37.55 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -40.4 154.22 0.2 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -39.08 7.07 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -61.35 -37.26 82.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 28.0 t80 -74.26 -42.66 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -24.26 67.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.21 -42.1 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' A' ' 746' ' ' LYS . 11.2 mm -81.45 101.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.3 p -76.65 -37.72 55.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.559 ' H ' HD12 ' A' ' 785' ' ' LEU . 4.5 mp -71.04 115.78 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.423 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 30.5 tt0 -57.82 -41.47 82.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.9 p -59.92 -36.42 76.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.91 -40.7 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 28.1 mtt85 -71.13 -35.18 71.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -70.18 -46.85 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -47.6 85.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.88 -41.0 87.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.593 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.8 t80 -59.16 -44.72 92.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.4 t0 -65.34 -39.4 92.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 754' ' ' LEU . 3.3 t80 -62.09 -39.95 94.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.593 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.7 mtp -68.59 -39.25 81.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.513 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.0 t60 -59.81 -45.39 92.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 795' ' ' ASP . 13.5 t -73.71 -35.43 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 800' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 761' ' ' ILE . 15.4 tp -54.45 -47.45 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 19.1 pt-20 -74.45 -36.57 63.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.512 ' CE1' ' CE1' ' A' ' 798' ' ' HIS . 3.0 m80 -59.37 -41.93 90.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -69.89 -35.39 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -73.85 -37.6 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 40.7 mttp -67.72 -45.65 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.75 -45.24 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 17.9 t -62.04 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.4 77.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 754' ' ' LEU . 36.7 t80 -65.03 -49.08 71.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.03 -44.39 97.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.4 t -60.58 -38.75 85.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.415 ' HE1' ' HB2' ' A' ' 780' ' ' PHE . 47.4 ttp -62.96 -44.19 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 761' ' ' ILE . 17.6 mt -63.44 -42.61 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -62.57 -35.93 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -90.8 8.44 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.41 156.3 37.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -143.82 124.48 7.84 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.594 0.711 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.68 169.95 60.49 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.327 -0.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.13 27.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.738 HD11 HD22 ' A' ' 754' ' ' LEU . 98.0 mt -49.94 104.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.08 167.56 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.2 -30.18 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -97.54 28.86 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.84 146.69 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.0 t -102.59 140.43 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.573 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.3 t-105 -50.91 -53.29 33.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 79.7 mt-10 -66.89 -23.6 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.452 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 6.5 t70 -77.53 -19.86 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 18.9 pt -113.16 -17.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.636 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.5 ptm180 -63.36 -51.06 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.8 tt0 -54.77 -22.52 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -74.13 -34.07 63.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -109.32 -4.69 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.64 HG22 ' CZ ' ' A' ' 780' ' ' PHE . 2.5 t -56.56 -22.77 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -90.04 -19.65 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.57 153.68 91.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -38.41 7.72 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -56.36 -40.12 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.64 ' CZ ' HG22 ' A' ' 775' ' ' VAL . 0.9 OUTLIER -75.89 -44.14 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.02 -22.08 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.86 -34.33 77.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 46.3 mm -81.86 96.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 71.5 p -67.93 -47.12 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 785' ' ' LEU . 5.2 mp -68.05 118.62 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.93 -39.34 94.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.4 p -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -60.48 -42.02 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 40.3 mtt180 -69.03 -41.55 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -63.27 -46.61 86.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.22 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.27 -41.21 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 41.5 t80 -60.03 -43.4 95.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -61.27 -45.06 96.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.7 t70 -64.17 -41.83 96.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 800' ' ' LEU . 17.5 t80 -61.16 -40.58 94.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.2 mtp -66.07 -40.16 90.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' ' 801' ' ' GLU . 1.9 t-80 -59.41 -45.72 90.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.5 t -72.73 -35.07 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 800' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 796' ' ' PHE . 12.6 tp -54.63 -46.0 73.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 13.9 pt-20 -73.6 -42.08 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.491 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 19.2 m80 -62.24 -33.93 75.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 51.8 mtm . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -67.99 -42.46 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -72.17 -40.52 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.439 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 2.5 mtmp? -67.59 -44.06 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.88 -45.46 74.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 15.6 t -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.27 86.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 754' ' ' LEU . 37.3 t80 -61.94 -48.92 78.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 751' ' ' LYS . . . . . 0.417 ' HA ' HD12 ' A' ' 754' ' ' LEU . 6.0 mtmp? -62.64 -47.43 83.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.6 t -61.17 -37.67 83.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.407 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 39.3 ttp -62.63 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.781 HD22 HD11 ' A' ' 761' ' ' ILE . 14.5 mt -63.16 -41.54 99.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -68.15 -28.75 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -82.89 -6.95 59.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.403 ' HB2' ' HE1' ' A' ' 774' ' ' PHE . . . -68.52 166.09 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.443 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -153.66 123.59 3.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.512 0.672 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.76 170.06 60.34 Favored 'Cis proline' 0 C--O 1.231 0.133 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.375 0.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 142.2 47.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.781 HD11 HD22 ' A' ' 754' ' ' LEU . 70.1 mt -47.82 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -64.68 164.3 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.35 -29.0 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -99.29 28.96 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -93.53 146.38 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 770' ' ' ILE . 59.9 t -102.82 143.73 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.0 t-105 -51.14 -53.35 35.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.443 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.9 mt-10 -67.61 -21.93 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.41 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 14.5 t0 -81.86 -16.29 51.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 766' ' ' VAL . 15.9 pt -115.04 -19.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.3 ptm180 -62.33 -44.18 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.6 tt0 -54.63 -24.11 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 773' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 30.3 mtp85 -73.11 -33.98 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' A' ' 754' ' ' LEU . 6.6 m-85 -109.1 -4.32 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.3 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -101.72 -8.88 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.93 152.55 68.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -39.13 6.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.407 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -57.36 -44.42 84.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 0.2 OUTLIER -75.73 -35.13 60.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.34 -21.77 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 782' ' ' ASP . . . . . 0.439 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 9.5 t0 -65.87 -35.85 81.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 11.6 mm -74.9 98.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 18.3 p -64.15 -48.08 77.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.75 118.54 16.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.41 -35.18 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 73.9 p -61.44 -35.62 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -59.97 -40.15 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 29.9 mtm180 -71.59 -38.98 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 790' ' ' LYS . . . . . 0.515 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 8.4 ttmt -64.44 -46.03 84.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.36 -46.11 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -41.29 88.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.3 t80 -59.43 -45.15 92.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -59.83 -45.38 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 799' ' ' VAL . 11.6 t70 -61.81 -42.92 99.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.0 t80 -60.92 -37.97 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.7 mtp -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 2.0 t-80 -60.24 -45.22 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 795' ' ' ASP . 18.8 t -67.3 -34.7 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.63 -45.32 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.5 pt-20 -66.92 -42.53 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -70.25 -33.58 71.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 803' ' ' GLU . . . . . 0.461 ' HG2' HG12 ' A' ' 799' ' ' VAL . 4.3 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.85 95.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -67.08 -36.65 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -68.36 -47.1 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.23 -48.47 80.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 13.6 t -62.05 -43.83 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.55 74.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.797 ' CE2' HD11 ' A' ' 754' ' ' LEU . 49.7 t80 -66.03 -48.6 70.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 751' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' A' ' 754' ' ' LEU . 5.3 mtmp? -60.26 -44.31 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 p -59.84 -44.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.722 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 42.2 ttp -59.37 -44.03 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.797 HD11 ' CE2' ' A' ' 750' ' ' PHE . 22.7 mt -61.26 -35.92 78.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.55 -36.09 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -80.82 -0.77 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.09 153.24 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.461 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -142.39 124.35 8.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.7 169.94 60.61 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 128.96 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 87.0 mt -37.95 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.79 -175.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 61.7 mt -84.41 -18.84 34.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.92 27.72 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.18 143.84 27.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 49.8 t -102.85 140.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -51.09 -53.09 37.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.427 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 43.2 mt-10 -64.85 -24.14 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.64 -24.77 56.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.447 ' O ' ' CD1' ' A' ' 774' ' ' PHE . 18.1 pt -107.63 -17.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.427 ' CD ' ' HA ' ' A' ' 768' ' ' GLU . 4.2 ptm180 -63.95 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.87 -21.95 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -76.08 -30.06 58.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 776' ' ' LYS . 4.5 m-85 -107.39 -7.73 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.537 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 6.7 p -35.44 -33.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 774' ' ' PHE . 18.5 mmmt -96.27 -40.54 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.4 mm-40 -37.23 148.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -38.65 7.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.722 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -59.97 -41.21 91.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 1.1 t80 -72.87 -42.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.21 -24.46 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -35.3 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 789' ' ' ARG . 29.9 mm -87.93 72.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 784' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.9 OUTLIER -47.51 -40.12 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -74.66 104.0 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 787' ' ' SER . 8.5 pt-20 -51.88 -34.99 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 787' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 80.2 p -59.82 -39.47 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 26.7 mm-40 -59.95 -37.7 80.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.459 ' HG2' HG21 ' A' ' 783' ' ' ILE . 25.9 mtt85 -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -66.22 -45.24 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -63.52 -47.46 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.88 -41.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 55.7 t80 -60.07 -43.4 95.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -61.44 -44.73 96.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.6 t0 -63.69 -42.1 98.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.44 ' CE1' HD13 ' A' ' 800' ' ' LEU . 20.6 t80 -61.59 -40.75 95.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.543 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 38.2 mtp -65.43 -40.76 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.431 ' O ' ' HG2' ' A' ' 801' ' ' GLU . 1.6 t-80 -59.43 -45.67 90.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.0 t -72.84 -35.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 800' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 796' ' ' PHE . 11.7 tp -54.54 -46.05 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 8.2 pt-20 -73.58 -42.09 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.5 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 13.0 m80 -59.73 -38.77 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.29 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -68.83 -42.9 76.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -61.03 -46.58 90.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 747' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -64.38 -39.22 93.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 47.7 t -63.46 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.24 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.613 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 34.8 t80 -63.48 -48.95 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -65.03 -43.21 93.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.0 m -60.63 -38.05 83.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.686 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 42.2 ttp -66.02 -44.79 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.604 HD11 ' CE1' ' A' ' 750' ' ' PHE . 60.0 mt -59.07 -39.26 81.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.83 10.18 10.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.19 175.85 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.477 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -160.54 124.61 2.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.83 169.54 63.15 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.355 0.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.74 19.89 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.454 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 754' ' ' LEU . 84.3 mt -40.75 105.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -68.53 -175.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.68 -17.17 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -113.68 28.03 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 765' ' ' ALA . . . . . 0.406 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -84.48 139.95 31.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 82.0 t -105.13 142.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.531 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.6 t-105 -52.35 -52.96 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -65.77 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.95 -23.49 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.502 HD12 HD22 ' A' ' 754' ' ' LEU . 18.9 pt -107.11 -19.2 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -63.53 -39.72 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.0 -31.7 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -72.88 -29.98 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 754' ' ' LEU . 6.3 m-85 -112.26 8.39 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 771' ' ' ARG . 7.8 p -57.64 -11.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -115.91 -26.93 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.433 ' CB ' ' SD ' ' A' ' 753' ' ' MET . 5.7 mm-40 -49.32 153.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -39.23 6.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.686 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.7 -38.04 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.14 -43.54 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -61.83 -25.4 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.02 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.11 113.48 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.8 p -89.03 -56.2 3.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.584 HD12 ' CG ' ' A' ' 788' ' ' GLU . 0.7 OUTLIER -49.98 125.26 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -60.86 -44.96 96.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 72.7 p -61.99 -33.1 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.584 ' CG ' HD12 ' A' ' 785' ' ' LEU . 4.1 mm-40 -60.07 -42.48 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.04 -41.38 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -65.11 -44.88 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -60.95 -46.81 89.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.67 -42.7 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.536 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 39.1 t80 -60.59 -42.8 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -62.12 -43.93 97.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.28 -41.77 97.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 8.5 t80 -61.37 -47.96 83.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.536 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.4 mtp -60.13 -39.58 86.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.2 t60 -59.84 -45.37 92.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.62 -34.44 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.26 -45.46 93.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.1 pt-20 -66.4 -40.03 89.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 36.5 m80 -72.33 -36.22 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 743' ' ' MET . . . . . 0.449 ' HA ' ' NZ ' ' A' ' 746' ' ' LYS . 21.0 ptp . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.851 0.358 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -43.67 98.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -73.6 -31.58 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.449 ' NZ ' ' HA ' ' A' ' 743' ' ' MET . 6.4 mtmp? -67.46 -46.77 72.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.44 -43.06 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.8 p -61.42 -45.95 92.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.95 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 754' ' ' LEU . 34.4 t80 -63.86 -48.68 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -62.2 -47.2 85.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.1 t -59.87 -36.44 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.531 ' SD ' ' CG ' ' A' ' 774' ' ' PHE . 15.3 tmm? -66.81 -39.66 87.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.627 HD22 HD12 ' A' ' 770' ' ' ILE . 33.7 mt -67.25 -44.2 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 755' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 756' ' ' GLN . 9.5 pttm -67.2 -36.08 80.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 756' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 755' ' ' LYS . 6.5 pt20 -80.94 0.04 37.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.14 154.98 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.447 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -138.55 122.69 11.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.654 0.74 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.73 169.97 60.62 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 127.68 14.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 754' ' ' LEU . 77.2 mt -41.43 105.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.47 -177.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 59.0 mt -78.64 -22.31 47.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -105.66 27.37 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 765' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -85.34 145.3 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 28.6 t -108.49 142.94 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.548 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.1 t-105 -51.26 -53.05 39.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 57.4 mt-10 -65.23 -24.47 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -74.75 -25.31 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.627 HD12 HD22 ' A' ' 754' ' ' LEU . 15.7 pt -106.61 -19.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.9 ptm180 -62.91 -35.94 81.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.09 -30.47 70.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -72.78 -31.84 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.531 ' CG ' ' SD ' ' A' ' 753' ' ' MET . 7.6 m-85 -109.04 0.26 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.536 HG13 ' HG2' ' A' ' 776' ' ' LYS . 7.1 p -40.77 -32.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.536 ' HG2' HG13 ' A' ' 775' ' ' VAL . 20.9 mmtt -93.35 -35.07 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 776' ' ' LYS . 57.9 mm-40 -35.79 149.23 0.13 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 778' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.3 Cg_endo -69.75 -36.43 10.84 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.82 2.347 . . . . 0.0 112.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.36 71.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.555 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.9 t80 -75.72 -50.99 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 781' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 3.7 pt-20 -65.54 -21.84 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.85 -41.1 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 785' ' ' LEU . 12.6 mm -74.85 86.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 17.4 p -54.58 -39.3 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 783' ' ' ILE . 5.5 mp -81.74 121.26 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.94 -39.85 95.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 1.2 m -59.93 -33.36 71.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 16.9 mm-40 -60.88 -39.93 91.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.555 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 36.6 mtm180 -71.58 -40.87 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -62.71 -45.8 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -62.13 -47.89 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.09 -40.98 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 57.0 t80 -59.2 -43.3 92.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -62.56 -45.34 93.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.1 t0 -66.44 -39.21 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -62.15 -43.11 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.573 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 42.5 mtp -65.65 -39.12 91.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 2.2 t-80 -60.31 -45.07 94.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 795' ' ' ASP . 5.3 t -66.97 -34.82 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.22 -45.21 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.84 -42.27 86.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.2 m80 -70.77 -33.62 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -65.43 -44.73 86.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -67.25 -45.73 75.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.2 -47.1 87.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.03 -40.4 96.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 20.4 m -62.01 -45.83 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.65 81.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.77 ' CE1' HD11 ' A' ' 754' ' ' LEU . 40.3 t80 -62.18 -49.27 76.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -60.15 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.3 m -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.693 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 39.2 ttp -60.05 -41.43 92.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.77 HD11 ' CE1' ' A' ' 750' ' ' PHE . 18.0 mt -67.45 -37.5 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -63.52 -36.09 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -86.94 5.43 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.0 147.05 47.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.447 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -135.06 124.51 16.51 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.78 169.43 63.46 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.381 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 136.53 33.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 754' ' ' LEU . 79.3 mt -45.21 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.55 -175.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 30.7 mt -84.68 -33.94 23.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.85 36.24 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.72 149.79 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.5 t -103.34 136.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.3 t-105 -54.03 -51.19 64.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.443 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.2 mt-10 -66.16 -21.91 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.447 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 10.9 t70 -82.15 -21.2 36.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.411 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 19.5 pt -107.81 -19.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.465 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.1 ptm180 -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 775' ' ' VAL . 15.8 pt-20 -53.73 -19.57 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 773' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 758' ' ' ALA . 73.5 mtp180 -81.27 -26.83 35.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 8.1 m-85 -111.45 -8.25 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.2 m -37.46 -43.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 777' ' ' GLU . 3.1 mmmm -78.5 -44.59 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 776' ' ' LYS . 78.6 mm-40 -34.46 151.11 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -38.97 6.94 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.282 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.693 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.16 -36.09 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 4.8 t80 -75.48 -46.75 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.44 -24.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.87 -41.29 91.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.455 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 11.1 mm -80.37 103.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 16.5 p -75.27 -43.45 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.518 ' H ' HD12 ' A' ' 785' ' ' LEU . 5.1 mp -70.89 119.95 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.436 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.5 pt-20 -61.22 -39.02 88.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.4 p -59.87 -34.61 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.6 -42.17 98.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 767' ' ' TRP . 32.6 mtt85 -69.03 -36.13 77.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -70.14 -46.89 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.99 -44.5 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.86 -44.03 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 41.0 t80 -58.66 -45.47 89.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.28 -44.15 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.2 t70 -61.96 -43.08 99.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -60.77 -40.05 91.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.545 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.3 mtp -64.07 -41.36 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 7.0 t-80 -59.92 -45.47 92.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 795' ' ' ASP . 38.7 t -66.8 -34.85 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.4 -45.28 94.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.4 pt-20 -67.11 -41.54 86.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.433 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 39.8 m80 -70.87 -33.43 70.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.849 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 4.1 ptp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -62.07 -41.53 98.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.84 -39.24 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.441 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 20.6 mttm -68.23 -49.6 59.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.61 -43.36 97.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.7 t -61.92 -45.98 91.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 754' ' ' LEU . 37.5 t80 -61.27 -49.01 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -63.69 -44.86 92.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 34.5 t -59.78 -41.77 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 14.5 tmm? -62.81 -40.85 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 750' ' ' PHE . 50.9 mt -63.33 -36.88 85.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -69.06 -35.95 77.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -86.76 12.06 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.16 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -132.2 124.38 19.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.76 170.36 58.87 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.62 -1.825 . . . . 0.0 112.381 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.99 36.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.28 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 43.2 mt -55.18 105.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -70.68 -179.36 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -77.24 -29.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -99.85 32.61 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -96.3 139.25 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.508 HG12 ' OE2' ' A' ' 768' ' ' GLU . 24.1 t -98.45 144.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 12.2 t-105 -54.55 -45.41 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.508 ' OE2' HG12 ' A' ' 766' ' ' VAL . 1.6 mp0 -67.16 -21.85 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.97 -35.43 50.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 16.2 pt -100.07 -15.26 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 775' ' ' VAL . 1.2 ttt-85 -65.01 -52.74 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.81 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.44 ' HA ' ' CG2' ' A' ' 775' ' ' VAL . 8.8 tp10 -54.65 -35.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -62.06 -33.93 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 10.9 m-85 -105.18 -8.57 18.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.499 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 1.9 t -47.91 -26.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -93.9 -20.48 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 774' ' ' PHE . 75.2 mm-40 -64.63 149.38 95.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 778' ' ' PRO . . . . . 0.416 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.8 Cg_endo -69.75 -38.31 8.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.72 71.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 4.5 t80 -76.17 -51.26 12.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 781' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 1.8 pt-20 -63.91 -21.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 782' ' ' ASP . . . . . 0.441 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 10.2 t0 -65.24 -10.15 29.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.647 HG21 ' HG2' ' A' ' 789' ' ' ARG . 18.5 mm -97.71 91.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.2 p -58.54 -46.27 87.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.43 ' O ' HG22 ' A' ' 783' ' ' ILE . 5.6 mp -80.11 115.56 19.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -59.04 -35.41 73.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.5 p -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 792' ' ' ILE . 31.8 mt-10 -60.82 -40.51 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.647 ' HG2' HG21 ' A' ' 783' ' ' ILE . 17.0 mtm180 -70.64 -38.04 73.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.71 -46.14 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -64.96 -46.16 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 792' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 788' ' ' GLU . 63.6 mt -60.96 -40.83 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.597 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.6 t80 -61.1 -45.34 95.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -59.8 -45.14 93.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.71 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.2 t0 -62.46 -41.05 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 10.9 t80 -61.97 -40.19 94.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.597 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 30.8 mtp -65.94 -41.47 91.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 2.9 t-80 -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 795' ' ' ASP . 9.6 t -67.02 -34.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.25 -45.47 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.6 pt-20 -66.42 -42.2 88.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.5 m80 -71.18 -33.68 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 22.1 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -67.35 -41.3 85.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -71.46 -48.64 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 746' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 23.4 mttm -62.93 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.99 -46.86 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 21.6 m -61.76 -41.47 97.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.751 ' CE1' HD11 ' A' ' 754' ' ' LEU . 50.8 t80 -64.95 -49.13 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 751' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 754' ' ' LEU . 33.2 mtmt -60.01 -45.11 93.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 t -61.37 -40.68 95.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.39 -41.5 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.751 HD11 ' CE1' ' A' ' 750' ' ' PHE . 17.2 mt -65.4 -38.58 90.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.28 -36.13 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.51 4.35 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 149.33 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.182 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.458 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -136.86 123.23 13.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.72 170.07 60.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.307 0.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.79 38.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.215 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 754' ' ' LEU . 72.5 mt -49.03 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.49 -174.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.6 mt -84.25 -28.64 27.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.73 35.66 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -99.19 140.04 33.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 96.6 t -101.74 150.3 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.582 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.31 -53.17 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.462 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.4 mt-10 -65.38 -21.98 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.429 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.1 m-20 -78.84 -26.94 44.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.495 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 17.5 pt -103.54 -20.17 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.533 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 6.4 ptm180 -63.68 -50.88 67.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.782 ' O ' HG22 ' A' ' 775' ' ' VAL . 8.1 tp10 -53.76 -19.53 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 773' ' ' ARG . . . . . 0.44 ' NH2' ' HD2' ' A' ' 759' ' ' PRO . 27.9 mtp180 -81.39 -26.94 35.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 777' ' ' GLU . 10.3 m-85 -111.13 -8.16 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.3 m -38.01 -38.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -83.53 -33.59 25.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 774' ' ' PHE . 6.7 mm-40 -48.36 149.6 2.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.76 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -38.98 6.9 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.26 76.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.599 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 t80 -75.79 -46.08 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.12 -21.9 66.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.88 -27.76 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 14.9 mm -96.1 88.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.8 p -57.31 -32.89 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.495 ' CB ' ' HG2' ' A' ' 788' ' ' GLU . 6.1 mt -78.87 107.85 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 787' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 72.4 p -62.52 -36.8 83.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.495 ' HG2' ' CB ' ' A' ' 785' ' ' LEU . 56.2 mm-40 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.599 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 39.9 mtm180 -67.7 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -61.36 -46.48 90.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -65.12 -44.83 87.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.81 -40.97 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 13.5 t80 -62.61 -43.94 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -57.94 -45.48 86.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 799' ' ' VAL . 4.2 t0 -61.56 -40.41 94.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.1 t80 -60.82 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.8 mtp -64.35 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.5 t-80 -60.01 -45.2 93.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 795' ' ' ASP . 23.1 t -67.27 -34.68 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -60.5 -45.27 94.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.1 m80 -70.44 -33.61 71.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.867 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 44.3 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -67.42 -39.71 85.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.14 -41.93 85.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -65.88 -46.42 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.662 ' CE1' HD11 ' A' ' 754' ' ' LEU . 41.4 t80 -62.75 -48.73 77.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.12 -45.52 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 9.7 t -60.0 -39.13 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.47 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 37.1 ttp -62.84 -43.97 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.662 HD11 ' CE1' ' A' ' 750' ' ' PHE . 24.8 mt -60.33 -41.57 93.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -68.96 -28.77 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -83.99 1.49 43.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.535 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -75.05 172.37 12.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.454 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -157.83 124.73 2.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.8 169.75 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.618 -1.826 . . . . 0.0 112.346 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 760' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 761' ' ' ILE . 54.2 Cg_endo -69.76 130.52 19.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 754' ' ' LEU . 85.6 mt -35.09 105.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.14 -176.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.65 -21.42 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.19 28.4 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 141.03 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 766' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 39.6 t -95.11 142.29 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -50.98 -53.13 35.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 83.9 mt-10 -65.29 -22.0 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 769' ' ' ASP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.6 m-20 -79.26 -22.14 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.488 HD11 ' CD1' ' A' ' 793' ' ' PHE . 21.5 pt -111.21 -15.07 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 775' ' ' VAL . 4.9 ptm180 -65.19 -46.36 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 2.6 pp20? -54.59 -22.42 13.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 773' ' ' ARG . . . . . 0.416 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 32.7 mtm180 -72.97 -33.0 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 6.0 m-85 -111.31 -5.34 14.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.6 t -55.32 -17.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -100.07 -21.89 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.98 153.42 95.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -37.62 8.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.47 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -55.84 -40.13 72.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.3 t80 -76.01 -46.8 27.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.84 -22.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -28.61 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 10.8 mm -87.03 99.19 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -72.56 -38.07 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.796 HD13 ' HG3' ' A' ' 788' ' ' GLU . 0.2 OUTLIER -78.78 109.95 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.09 -35.83 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.1 p -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.796 ' HG3' HD13 ' A' ' 785' ' ' LEU . 36.1 mm-40 -60.29 -44.91 94.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 43.2 mtm180 -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -69.04 -46.46 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -63.42 -44.56 94.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.92 -44.37 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 33.8 t80 -58.73 -45.13 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -58.18 -45.07 88.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 799' ' ' VAL . 4.5 t70 -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.2 t80 -63.76 -39.56 94.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.3 mtp -66.39 -41.46 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.564 ' CE1' ' CE1' ' A' ' 802' ' ' HIS . 3.8 t60 -59.83 -45.35 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.0 t -73.0 -35.17 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 800' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 796' ' ' PHE . 13.7 tp -55.01 -46.68 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 21.9 pt-20 -74.1 -37.88 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.564 ' CE1' ' CE1' ' A' ' 798' ' ' HIS . 4.1 m80 -59.18 -41.59 88.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 25.3 ttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -69.16 -43.99 73.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.32 -42.08 84.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -61.06 -50.23 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 747' ' ' GLU . . . . . 0.413 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -60.97 -42.23 97.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.1 m -61.91 -44.3 97.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.65 ' CE1' HD11 ' A' ' 754' ' ' LEU . 33.4 t80 -65.34 -49.17 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 751' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 754' ' ' LEU . 29.1 mttm -62.23 -38.21 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -66.02 -40.98 91.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 753' ' ' MET . . . . . 0.48 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 35.6 ttp -61.75 -43.27 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.65 HD11 ' CE1' ' A' ' 750' ' ' PHE . 11.9 mt -65.23 -40.98 94.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -62.0 -35.41 78.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.7 8.96 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.31 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.442 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.76 123.9 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.196 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.0 Cg_endo -69.75 169.83 61.42 Favored 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.765 -1.765 . . . . 0.0 112.345 0.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 760' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.0 Cg_endo -69.84 126.64 13.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.613 2.208 . . . . 0.0 112.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 761' ' ' ILE . . . . . 0.439 HD11 HD22 ' A' ' 754' ' ' LEU . 56.8 mt -34.25 105.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.25 -177.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.61 -35.43 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.06 28.36 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -83.67 140.71 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.08 141.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.1 t-105 -51.64 -52.46 47.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.445 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 26.9 mp0 -66.7 -23.04 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.5 -23.99 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 19.8 pt -107.3 -20.02 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.2 ptm180 -63.59 -45.29 91.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 772' ' ' GLU . . . . . 0.784 ' O ' HG22 ' A' ' 775' ' ' VAL . 6.3 tp10 -53.8 -20.15 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -81.12 -26.8 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 774' ' ' PHE . . . . . 0.485 ' CE2' HD23 ' A' ' 754' ' ' LEU . 11.4 m-85 -111.76 -7.74 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.0 OUTLIER -37.44 -30.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 774' ' ' PHE . 27.1 mtmm -96.09 -41.81 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 776' ' ' LYS . 64.0 mm-40 -37.24 151.14 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -39.13 7.03 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.48 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.89 -38.54 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 0.6 OUTLIER -75.21 -41.44 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.78 -23.4 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.96 -39.71 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.46 ' O ' ' NE ' ' A' ' 789' ' ' ARG . 24.4 mm -81.77 107.47 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 3.0 p -79.78 -56.36 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 785' ' ' LEU . 0.3 OUTLIER -55.96 123.25 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.19 -39.62 90.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 59.6 p -65.13 -32.99 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.573 ' HG3' HD12 ' A' ' 785' ' ' LEU . 13.9 mt-10 -59.82 -41.9 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 64.4 mtt180 -72.18 -41.88 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -64.01 -46.23 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -60.77 -48.4 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.84 -41.87 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 35.0 t80 -60.72 -45.41 94.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -58.04 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.602 ' O ' HG23 ' A' ' 799' ' ' VAL . 2.9 t70 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.02 -39.36 89.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 36.0 mtp -65.02 -41.13 95.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.6 t-80 -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 795' ' ' ASP . 8.9 t -66.79 -34.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.55 -45.33 94.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -66.53 -42.28 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.7 m80 -71.4 -33.49 69.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 23.4 ttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -67.69 -41.99 82.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -68.42 -37.86 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -68.66 -47.55 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -64.3 -41.63 96.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 44.0 t -62.44 -42.22 99.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.21 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 754' ' ' LEU . 41.8 t80 -62.64 -48.18 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -62.12 -46.2 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 752' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 755' ' ' LYS . 15.2 m -59.88 -43.83 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -59.84 -39.48 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 754' ' ' LEU . . . . . 0.677 HD11 ' CE1' ' A' ' 750' ' ' PHE . 72.9 mt -64.58 -40.37 95.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 755' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 752' ' ' SER . 7.5 pttp -76.32 -21.55 56.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -79.85 -9.93 59.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.17 165.98 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 758' ' ' ALA . . . . . 0.437 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -148.49 122.29 4.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 759' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.4 Cg_endo -69.68 170.04 60.05 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.388 -0.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 135.62 30.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 51.1 mt -38.24 105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.64 -175.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.96 -13.79 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.16 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.55 139.1 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 62.6 t -101.81 142.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -51.13 -52.31 45.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 768' ' ' GLU . . . . . 0.447 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 12.6 mt-10 -64.46 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -25.72 49.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 770' ' ' ILE . . . . . 0.673 HD12 HD22 ' A' ' 754' ' ' LEU . 26.6 pt -105.32 -19.02 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 771' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.4 ptm180 -64.94 -38.78 92.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.93 -27.34 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 773' ' ' ARG . . . . . 0.407 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 38.1 mtp180 -74.82 -32.39 61.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.11 0.02 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 775' ' ' VAL . . . . . 0.479 HG13 ' HG2' ' A' ' 776' ' ' LYS . 8.6 p -40.93 -33.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 776' ' ' LYS . . . . . 0.479 ' HG2' HG13 ' A' ' 775' ' ' VAL . 16.6 mmtt -90.63 -37.97 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 53.1 mm-40 -37.47 152.25 0.13 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.644 0.735 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -60.33 -36.81 78.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 780' ' ' PHE . . . . . 0.598 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 5.0 t80 -74.7 -47.18 32.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.49 -24.11 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.84 -40.77 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 783' ' ' ILE . . . . . 0.478 ' CG2' ' HG2' ' A' ' 789' ' ' ARG . 27.9 mm -83.43 111.72 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 6.6 p -85.17 -55.99 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 785' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 785' ' ' LEU . 0.5 OUTLIER -55.1 126.32 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -62.16 -45.88 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 88.0 p -60.73 -32.8 72.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 788' ' ' GLU . . . . . 0.5 ' CG ' HD12 ' A' ' 785' ' ' LEU . 39.9 mm-40 -59.76 -43.43 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 789' ' ' ARG . . . . . 0.598 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 60.4 mtt180 -72.03 -35.77 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 790' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 790' ' ' LYS . 0.9 OUTLIER -69.99 -40.3 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.0 -49.04 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.98 -41.04 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.186 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 793' ' ' PHE . . . . . 0.601 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.6 t80 -60.24 -45.27 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -59.78 -45.23 92.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 795' ' ' ASP . . . . . 0.731 ' O ' HG23 ' A' ' 799' ' ' VAL . 2.5 t70 -65.2 -38.09 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 796' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 9.0 t80 -62.49 -45.76 91.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 797' ' ' MET . . . . . 0.601 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.0 mtp -63.33 -39.5 94.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 798' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.9 t-80 -60.39 -44.99 95.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.1 t -66.78 -34.89 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.33 -45.3 95.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.0 pt-20 -66.54 -41.8 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 802' ' ' HIS . . . . . 0.434 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.9 m80 -71.51 -33.57 69.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 34.1 p -94.23 -58.6 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.7 t -147.43 115.03 6.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -171.34 121.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 6.4 t -63.42 156.65 25.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 96.7 p -143.93 154.77 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.789 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 144.52 -116.19 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.0 ttm -67.4 -42.12 83.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.91 98.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -66.96 -41.15 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 p -61.92 -45.83 91.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.76 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' A' ' 754' ' ' LEU . 42.9 t80 -62.52 -48.46 79.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -59.56 -46.38 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.0 t -61.86 -36.9 82.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.439 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 44.0 ttp -63.21 -40.81 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 750' ' ' PHE . 20.4 mt -66.66 -38.51 87.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -65.88 -36.02 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -86.81 11.81 12.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -78.7 164.67 24.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.462 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -149.04 124.05 4.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.478 0.656 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.71 169.93 60.72 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 -1.789 . . . . 0.0 112.351 -0.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 760' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.6 Cg_endo -69.79 127.63 14.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 754' ' ' LEU . 32.0 mt -34.25 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.52 -178.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.61 -32.43 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.03 37.42 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.72 150.56 20.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 98.0 t -107.54 140.44 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.578 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -50.83 -53.23 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 20.8 mt-10 -66.16 -22.89 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.406 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 24.7 t70 -79.22 -19.77 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 793' ' ' PHE . 16.0 pt -112.8 -16.51 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.667 ' O ' HG23 ' A' ' 775' ' ' VAL . 6.2 ptm180 -65.09 -49.62 69.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 7.0 tt0 -54.76 -25.33 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -72.28 -33.65 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 14.9 m-85 -107.99 -5.5 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.7 t -58.26 -25.5 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -88.49 -8.53 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -85.69 154.02 58.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -37.37 9.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.439 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -56.86 -40.68 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.639 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.5 t80 -75.33 -46.0 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.93 -22.94 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.91 -33.92 76.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.436 HG21 ' CG ' ' A' ' 789' ' ' ARG . 8.9 mm -78.52 101.81 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 54.7 p -70.03 -45.5 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 118.29 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -61.57 -39.12 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 83.5 p -60.27 -34.49 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.94 -41.63 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.639 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.3 mtm180 -71.97 -35.38 69.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -68.25 -47.02 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 791' ' ' ARG . 3.0 tmt_? -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.21 -41.74 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 770' ' ' ILE . 26.6 t80 -60.57 -45.39 94.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -44.89 89.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.3 t70 -61.43 -42.57 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.3 t80 -61.12 -38.13 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.575 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.0 mtp -65.79 -41.43 91.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.8 t-80 -60.57 -45.01 95.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 795' ' ' ASP . 10.9 t -66.82 -34.93 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.49 -45.3 94.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.4 pt-20 -66.5 -42.19 87.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.0 m80 -71.27 -33.61 69.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' GLU . . . . . 0.574 ' HG2' HG12 ' A' ' 799' ' ' VAL . 26.9 mm-40 -71.87 -38.89 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.04 -62.04 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -80.89 139.23 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -61.43 121.68 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 94.5 p -133.15 -43.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -131.33 84.75 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 31.4 t -110.25 -46.9 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 812' ' ' GLY . 26.4 m -49.2 160.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 812' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 811' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 78.0 p -168.4 136.18 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 5.2 t -174.88 142.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 132.65 73.39 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 18.7 m -83.54 89.47 7.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 70.6 m -98.2 -48.91 4.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 132.52 -40.59 1.6 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 5.7 mmt -62.21 -32.64 73.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -67.17 -39.1 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 745' ' ' ARG . 7.5 mtp-105 -66.43 -46.13 77.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.51 -45.72 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -62.26 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.8 t -62.11 -41.34 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.51 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 754' ' ' LEU . 44.3 t80 -64.35 -48.95 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -61.29 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 25.2 t -60.29 -40.83 91.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.414 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 33.1 ttp -63.04 -41.38 99.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.71 ' HB3' HD11 ' A' ' 761' ' ' ILE . 58.6 mt -61.98 -40.87 97.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -66.83 -35.83 80.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -83.85 9.33 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -77.94 168.97 19.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.446 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -156.78 123.9 2.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.51 0.671 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.79 169.99 60.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.36 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.78 43.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 754' ' ' LEU . 75.7 mt -45.99 105.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.68 -175.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.61 -27.23 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -110.25 35.89 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.34 143.43 26.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 82.8 t -98.36 142.09 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 6.3 t-105 -52.22 -53.06 48.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 32.0 mt-10 -64.55 -21.83 66.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.433 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 80.5 m-20 -78.53 -25.32 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 793' ' ' PHE . 18.0 pt -107.5 -16.39 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.6 ptm180 -64.94 -50.87 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.9 pt-20 -54.66 -24.62 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -70.12 -31.42 68.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.485 ' CE2' HD23 ' A' ' 754' ' ' LEU . 14.0 m-85 -110.87 -8.25 14.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.5 t -52.4 -27.17 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -88.96 -16.38 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -77.93 153.41 80.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -37.61 9.04 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.425 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.414 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -55.92 -40.09 72.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 2.0 t80 -76.2 -48.03 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.95 -22.59 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.08 -30.92 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.423 HG21 ' HG3' ' A' ' 789' ' ' ARG . 21.2 mm -82.81 101.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 34.2 p -72.2 -40.39 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.1 116.02 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.84 -35.54 76.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 77.7 p -62.16 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.31 -41.7 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.2 mtm180 -70.75 -35.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 790' ' ' LYS . . . . . 0.415 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 6.4 ttmt -67.88 -46.93 70.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -63.27 -45.07 93.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.13 -42.43 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.8 t80 -60.21 -43.57 95.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -60.99 -45.31 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 799' ' ' VAL . 7.0 t0 -62.12 -43.05 99.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.698 ' CE1' HD12 ' A' ' 761' ' ' ILE . 2.4 t80 -60.88 -37.91 83.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -67.45 -38.09 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.9 t-80 -62.09 -45.23 94.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.2 t -67.1 -34.95 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.2 -45.4 94.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.4 pt-20 -66.42 -42.23 88.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.421 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.7 m80 -71.05 -33.61 70.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 803' ' ' GLU . . . . . 0.46 ' HG2' HG12 ' A' ' 799' ' ' VAL . 8.3 mm-40 -75.9 -31.0 58.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 7.9 t -133.33 72.94 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.31 149.75 37.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 49.23 53.31 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 37.7 t -102.89 85.01 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 89.3 85.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 810' ' ' SER . 53.8 Cg_endo -69.79 1.82 4.11 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.63 2.22 . . . . 0.0 112.305 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 810' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 809' ' ' PRO . 1.5 m -35.86 122.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 55.1 m -62.81 -176.53 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 19.7 m -63.24 -42.62 99.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.366 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 29.0 t -87.19 118.27 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 178.64 152.86 10.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 86.4 p -63.18 168.02 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 55.5 m -70.15 115.25 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -152.33 -147.92 4.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.5 ttt -66.75 -30.05 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -68.34 -40.55 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -68.98 -47.57 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.84 -49.68 75.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.97 -40.58 80.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 48.5 t -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.18 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 754' ' ' LEU . 43.0 t80 -65.14 -48.74 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -62.04 -42.11 98.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -60.77 -39.58 89.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 52.6 ttp -64.49 -44.16 91.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 750' ' ' PHE . 65.5 mt -58.76 -42.29 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -68.27 -36.05 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.71 11.21 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.49 165.78 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.452 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.23 123.85 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.5 Cg_endo -69.69 169.88 60.9 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.34 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.24 14.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.408 HG23 ' HB3' ' A' ' 765' ' ' ALA . 94.9 mt -37.21 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.71 -178.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.2 mt -78.55 -23.57 46.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.08 28.68 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 765' ' ' ALA . . . . . 0.408 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -85.17 141.84 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 69.7 t -104.75 146.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.38 -53.04 62.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 18.8 mt-10 -63.06 -22.13 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -78.26 -31.25 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 754' ' ' LEU . 22.4 pt -98.13 -19.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -64.73 -35.97 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.81 -25.53 66.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -76.99 -29.96 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.92 -2.47 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 771' ' ' ARG . 6.7 p -40.47 -36.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 777' ' ' GLU . 15.8 mtpt -89.47 -40.8 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 776' ' ' LYS . 59.6 mm-40 -35.19 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -38.81 7.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.472 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -58.8 -38.83 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -75.8 -41.46 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -64.58 -23.18 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.63 -37.35 76.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 6.4 mm -85.22 82.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 784' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -55.95 -37.34 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -79.1 116.34 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.42 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 0.1 OUTLIER -61.04 -35.02 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 92.9 p -59.94 -38.05 81.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 12.8 mt-10 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.521 ' HB3' ' CH2' ' A' ' 767' ' ' TRP . 25.1 mtt85 -69.04 -36.23 77.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 790' ' ' LYS . . . . . 0.429 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 7.1 ttmt -67.28 -46.67 72.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -62.27 -46.45 88.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.98 -41.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 53.5 t80 -60.27 -43.94 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -60.49 -45.18 94.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.5 t0 -63.74 -41.31 98.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 2.9 t80 -61.15 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.5 mtp -65.37 -39.83 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 2.7 t-80 -60.3 -44.94 94.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.1 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.25 -45.44 94.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.1 pt-20 -66.42 -42.53 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.2 m80 -70.94 -33.62 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 803' ' ' GLU . . . . . 0.591 ' HG3' HG12 ' A' ' 799' ' ' VAL . 7.4 mt-10 -70.03 -38.04 75.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 17.7 p -81.96 -28.43 32.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -63.64 -48.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -141.78 124.91 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 2.3 t -60.14 115.71 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 163.01 167.84 24.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.3 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 4.4 m -151.16 123.81 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.4 m -139.47 143.56 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 17.6 m -54.37 101.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.912 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 13.9 t -152.16 105.48 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.44 136.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 92.5 p -82.37 -35.57 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 72.2 p -100.64 170.1 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -127.94 -172.66 13.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -63.67 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -70.56 -45.17 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -70.14 -41.32 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.453 ' HB3' HD11 ' A' ' 783' ' ' ILE . 44.6 mttm -65.93 -48.43 71.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.43 -43.48 88.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 28.8 p -62.17 -46.27 89.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.31 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 754' ' ' LEU . 40.7 t80 -64.01 -48.97 74.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -61.95 -40.63 96.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.3 m -61.36 -42.63 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.462 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 57.0 ttp -61.9 -44.17 97.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 750' ' ' PHE . 33.0 mt -61.41 -36.02 79.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.53 -27.26 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -91.22 -7.92 49.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -61.78 143.52 56.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.473 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.74 124.67 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.76 169.94 60.93 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.389 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.04 32.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 754' ' ' LEU . 64.3 mt -44.8 105.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.81 -175.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 38.1 mt -85.97 -16.85 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -112.26 28.93 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.59 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.28 144.07 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.574 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.4 t-105 -53.79 -53.04 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 13.1 mt-10 -64.0 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.65 -26.65 50.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 18.7 pt -104.02 -19.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.3 ptm180 -64.94 -41.16 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -66.01 -28.32 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -74.02 -30.95 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 775' ' ' VAL . 6.4 m-85 -107.62 -5.57 17.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 776' ' ' LYS . 9.4 p -36.04 -46.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.532 ' N ' HG13 ' A' ' 775' ' ' VAL . 27.4 mmtt -74.18 -45.09 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.2 mm-40 -34.21 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -36.83 10.21 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.462 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -59.99 -37.09 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 2.1 t80 -76.01 -48.75 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.61 -22.01 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.82 -37.1 81.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 13.0 mm -89.25 77.31 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -47.55 -38.29 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -77.07 114.82 16.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 pt-20 -60.03 -35.93 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 78.6 p -60.12 -39.06 84.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.635 ' HG3' HD13 ' A' ' 785' ' ' LEU . 23.8 mm-40 -60.09 -39.74 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 29.0 mtt85 -70.09 -35.14 73.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 790' ' ' LYS . . . . . 0.418 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 11.8 ttmt -68.57 -46.95 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -59.62 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.04 -41.03 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 47.5 t80 -58.81 -44.06 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -61.79 -45.25 94.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.7 t70 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.3 t80 -61.1 -39.48 90.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.4 mtp -65.38 -41.2 94.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.481 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.5 t-80 -60.03 -45.04 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.6 t -66.84 -34.83 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.34 -45.46 94.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.7 pt-20 -66.43 -42.28 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.0 m80 -71.12 -33.73 70.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' GLU . . . . . 0.505 ' HG3' HG12 ' A' ' 799' ' ' VAL . 17.9 mm-40 -76.47 -42.23 44.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.18 -50.97 65.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 805' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 806' ' ' HIS . 74.1 mt-30 -64.28 177.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 805' ' ' GLN . 24.5 m80 -37.69 135.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 77.7 p -62.6 135.15 57.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 154.68 83.26 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 145.28 57.11 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.7 t -159.56 114.28 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 62.4 p -109.78 -55.75 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 69.5 p -58.01 -44.09 87.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 39.9 m -50.66 113.92 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -37.6 141.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 1.4 t -98.92 43.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 4.8 t -128.89 120.73 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 178.24 125.91 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 743' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 744' ' ' LYS . 0.0 OUTLIER -63.99 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.838 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 744' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 743' ' ' MET . 10.9 ttpt -67.54 -43.77 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.31 91.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.423 ' HB3' HD11 ' A' ' 783' ' ' ILE . 23.4 mttp -65.57 -50.56 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.75 -40.1 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 30.8 t -63.13 -42.46 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.87 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.54 -48.47 72.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -61.93 -42.92 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.3 t -61.82 -40.89 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 32.3 ttp -62.09 -42.55 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 761' ' ' ILE . 62.6 mt -62.3 -41.93 98.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -81.83 -9.27 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -58.03 157.84 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.422 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -147.98 122.02 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.488 0.661 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.2 Cg_endo -69.82 169.2 64.74 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.325 0.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 140.62 43.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.416 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.702 HD12 ' CE1' ' A' ' 796' ' ' PHE . 83.7 mt -42.45 105.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.8 -175.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.14 -30.1 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -108.46 32.67 4.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.57 151.1 22.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.66 139.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -51.0 -53.11 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.474 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.7 mm-40 -65.63 -21.85 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.46 -20.44 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.418 ' HB ' ' NH2' ' A' ' 773' ' ' ARG . 19.3 pt -112.91 -14.69 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 775' ' ' VAL . 4.8 ptm180 -65.13 -40.13 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.8 -22.65 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 773' ' ' ARG . . . . . 0.418 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 31.9 mtm180 -75.28 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 9.2 m-85 -107.16 -6.68 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.7 t -57.75 -23.22 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -2.87 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.77 154.44 47.95 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.705 0.764 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -36.7 10.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.66 78.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 1.0 OUTLIER -76.13 -44.88 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.99 -23.44 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.88 -18.56 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.492 HG21 ' HG2' ' A' ' 789' ' ' ARG . 36.2 mm -100.85 77.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.76 -36.87 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.679 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.3 OUTLIER -76.97 108.45 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.9 pt-20 -56.53 -35.06 67.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 99.1 p -59.95 -36.67 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.543 ' HG3' HD13 ' A' ' 785' ' ' LEU . 7.4 mm-40 -61.2 -38.63 87.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.562 ' HD2' ' CE2' ' A' ' 780' ' ' PHE . 20.3 mtt85 -71.69 -35.89 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 790' ' ' LYS . . . . . 0.447 ' HE2' ' CD1' ' A' ' 767' ' ' TRP . 9.7 ttmt -67.51 -46.17 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.07 -46.91 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.2 -41.3 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 45.1 t80 -59.05 -44.34 91.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -61.27 -45.33 94.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.617 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.1 t70 -65.25 -40.83 94.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.702 ' CE1' HD12 ' A' ' 761' ' ' ILE . 3.4 t80 -60.99 -42.2 97.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.0 mtp -66.24 -38.16 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 6.7 t60 -61.53 -45.06 95.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 795' ' ' ASP . 14.3 t -67.04 -34.87 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.32 -45.28 95.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.2 pt-20 -66.51 -42.25 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.5 m80 -71.04 -33.55 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 803' ' ' GLU . 0.0 OUTLIER -75.23 -30.94 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 2.9 t -112.96 66.27 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' GLN . . . . . 0.53 ' HG3' ' CD2' ' A' ' 806' ' ' HIS . 23.7 tp60 -137.37 145.92 43.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 805' ' ' GLN . 47.1 m-70 54.21 51.04 15.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 5.5 m -144.84 130.22 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.791 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 75.75 -164.66 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 -27.68 26.33 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.3 m -72.13 130.37 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 8.6 t -119.08 -51.4 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 61.8 p -81.48 121.27 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.9 m -142.38 121.23 12.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -136.1 111.06 0.85 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.7 m -75.47 -42.68 52.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.919 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 67.9 m -54.67 176.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -139.08 -31.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.419 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 743' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 744' ' ' LYS . 10.7 ptp -62.58 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 744' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 743' ' ' MET . 12.5 ptpt -62.33 -34.14 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -69.56 -42.88 73.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 15.5 mtmt -64.78 -48.09 75.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.03 -43.33 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 58.7 m -61.99 -39.37 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.67 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.719 ' CE1' HD11 ' A' ' 754' ' ' LEU . 40.1 t80 -65.71 -49.42 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 751' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 754' ' ' LEU . 15.3 mtmt -61.83 -42.86 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.6 m -61.11 -41.78 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.827 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 41.8 ttp -59.89 -46.54 89.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.719 HD11 ' CE1' ' A' ' 750' ' ' PHE . 12.2 mt -61.25 -36.02 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -66.24 -36.07 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.45 8.03 42.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -71.38 137.78 48.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.47 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -125.38 124.79 25.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.3 Cg_endo -69.82 169.77 61.95 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.3 0.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.45 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.405 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 27.3 mt -47.94 105.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -68.51 -175.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 16.9 mt -81.0 -21.82 39.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.61 21.75 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -80.0 139.79 36.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.417 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 39.2 t -106.39 142.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.494 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.7 t-105 -52.21 -53.06 48.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.8 mt-10 -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.417 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 5.9 t70 -78.56 -22.38 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.478 HD12 ' HE2' ' A' ' 774' ' ' PHE . 15.5 pt -108.6 -20.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.8 ptm180 -63.23 -41.67 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.9 -31.8 71.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 773' ' ' ARG . 4.9 mtp-105 -71.38 -31.11 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 776' ' ' LYS . 11.1 m-85 -104.73 -6.35 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.565 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.0 p -37.71 -27.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 774' ' ' PHE . 14.9 mtpt -95.77 -45.11 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 776' ' ' LYS . 7.9 mm-40 -36.96 152.75 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 778' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 782' ' ' ASP . 54.1 Cg_endo -69.78 -34.32 14.75 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.827 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -61.14 -44.92 96.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.581 ' CE2' ' NH1' ' A' ' 789' ' ' ARG . 3.0 t80 -70.45 -44.24 68.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.71 -21.8 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 778' ' ' PRO . 12.5 m-20 -68.93 -29.15 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 22.2 mm -101.47 91.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 8.0 p -63.68 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.576 HD12 ' HG3' ' A' ' 788' ' ' GLU . 87.8 mt -71.84 98.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -51.31 -45.91 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 25.6 p -59.74 -41.73 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 785' ' ' LEU . 77.0 mm-40 -59.78 -36.4 76.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.581 ' NH1' ' CE2' ' A' ' 780' ' ' PHE . 46.5 mtm180 -72.14 -35.92 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -66.62 -47.01 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -63.21 -44.5 95.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.9 -40.88 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 15.8 t80 -62.61 -43.91 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -59.15 -45.36 91.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 799' ' ' VAL . 3.8 t70 -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 3.6 t80 -60.93 -39.33 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 39.7 mtp -64.42 -41.1 96.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.4 t-80 -60.75 -45.09 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 795' ' ' ASP . 23.0 t -66.96 -34.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.28 -45.45 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.55 -42.36 87.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.6 m80 -71.05 -33.57 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -76.87 -38.51 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 94.7 m -78.74 -24.27 44.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 806' ' ' HIS . 8.1 tm0? -106.25 156.38 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.405 ' N ' ' CD ' ' A' ' 805' ' ' GLN . 0.1 OUTLIER -127.4 -51.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 39.9 t -145.23 138.89 26.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.73 31.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.422 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 809' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 811' ' ' SER . 53.7 Cg_endo -69.71 -0.09 6.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 91.1 p -47.58 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 809' ' ' PRO . 40.5 t -121.56 111.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 737' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 738' ' ' SER . 59.8 p -113.7 42.14 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 738' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 737' ' ' SER . 12.6 t -35.89 139.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -98.84 -125.32 5.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 5.2 t -145.46 137.22 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 28.8 t -55.54 121.79 9.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.772 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -167.12 -140.0 2.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 48.9 tpp -64.07 -42.31 97.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -62.33 -43.71 98.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -41.82 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -61.77 -51.01 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.02 -43.65 86.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.3 t -62.1 -36.04 80.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.13 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.604 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 20.3 t80 -64.78 -49.11 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -64.3 -43.66 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -38.3 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.467 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 40.3 ttp -63.88 -46.56 84.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' A' ' 761' ' ' ILE . 15.6 mt -61.8 -38.08 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -36.06 82.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -90.07 11.63 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.96 169.54 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.452 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -155.21 124.3 3.08 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.495 0.664 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.7 Cg_endo -69.73 169.97 60.63 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.784 -1.757 . . . . 0.0 112.314 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 760' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.3 Cg_endo -69.84 127.84 15.1 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 754' ' ' LEU . 69.7 mt -34.84 105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -64.82 177.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.1 mt -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.78 31.32 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.38 143.13 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.76 142.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.481 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -52.35 -53.04 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.438 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.5 mt-10 -64.85 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.79 -23.67 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 793' ' ' PHE . 22.5 pt -107.32 -18.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.6 ptm180 -64.89 -44.39 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 10.0 pt-20 -61.44 -27.46 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -74.51 -32.04 62.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -107.33 -2.55 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.527 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.8 p -40.51 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 777' ' ' GLU . 48.9 mttt -91.58 -41.04 11.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 776' ' ' LYS . 5.9 mm-40 -36.17 150.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 778' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.6 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.757 2.305 . . . . 0.0 112.28 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -66.83 -31.66 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 2.5 t80 -75.46 -51.16 13.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 781' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 3.9 pt-20 -65.12 -22.38 66.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.58 -25.43 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 26.1 mm -102.05 117.38 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.7 p -88.59 -54.7 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.63 HD12 ' CG ' ' A' ' 788' ' ' GLU . 0.6 OUTLIER -52.18 121.66 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -60.3 -40.21 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 787' ' ' SER . . . . . 0.455 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 0.7 OUTLIER -66.06 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.63 ' CG ' HD12 ' A' ' 785' ' ' LEU . 15.0 mm-40 -59.97 -42.32 93.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -72.1 -41.24 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -63.92 -46.99 82.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -60.45 -48.15 83.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.7 -41.01 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 38.2 t80 -60.89 -42.63 98.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.0 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.5 t70 -60.38 -41.07 93.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 761' ' ' ILE . 3.1 t80 -63.08 -45.23 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.6 mtp -63.26 -41.36 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.495 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.8 t-80 -59.73 -45.36 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 795' ' ' ASP . 98.5 t -65.07 -34.44 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.99 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.0 pt-20 -66.5 -40.06 89.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.482 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 35.9 m80 -72.43 -35.62 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -78.3 -31.23 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.66 -12.96 3.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 806' ' ' HIS . 10.9 tt0 -101.23 56.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 805' ' ' GLN . 1.9 m80 35.95 45.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 3.6 m -99.68 -42.63 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 119.53 125.93 3.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.54 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 52.8 p -62.47 156.98 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 44.4 p -44.86 150.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.4 t 67.14 42.14 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 32.7 t -92.52 105.46 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -75.39 142.76 29.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.4 m -151.42 133.52 15.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.1 t -71.77 173.46 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -69.07 -44.53 66.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 12.2 mtt -65.27 -44.75 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.0 -40.14 94.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -66.99 -46.53 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 25.9 mttm -60.4 -47.82 84.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -59.02 -41.55 88.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -61.85 -45.48 93.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.99 72.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.573 ' CD2' HG13 ' A' ' 783' ' ' ILE . 11.5 t80 -62.18 -49.16 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -64.48 -46.65 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.8 t -59.89 -36.98 78.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 12.0 tmm? -65.42 -42.98 91.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.75 HD23 ' CE2' ' A' ' 774' ' ' PHE . 43.8 mt -59.58 -45.14 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -31.65 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -80.86 7.22 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.99 166.24 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.451 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.39 122.69 3.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.73 170.03 60.34 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.344 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 138.69 38.26 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 754' ' ' LEU . 93.9 mt -46.08 105.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.6 -178.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.45 -20.44 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -104.92 24.68 11.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -88.04 141.94 28.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 768' ' ' GLU . 88.7 t -104.64 147.17 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.1 t-105 -51.35 -48.25 62.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.492 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 27.2 mt-10 -68.86 -21.74 64.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.98 -18.03 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.634 HD11 ' CD1' ' A' ' 793' ' ' PHE . 14.9 pt -110.43 -20.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 775' ' ' VAL . 3.0 ptm180 -64.98 -43.65 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.1 tp10 -65.54 -21.64 66.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -74.66 -32.29 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.75 ' CE2' HD23 ' A' ' 754' ' ' LEU . 10.7 m-85 -111.71 -8.21 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.2 t -51.38 -25.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -20.13 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.72 155.42 93.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.385 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.01 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.736 ' CZ ' HG22 ' A' ' 775' ' ' VAL . 1.7 t80 -76.04 -48.85 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -58.89 -21.96 58.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.38 -37.51 77.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.626 HG21 ' HG3' ' A' ' 789' ' ' ARG . 25.4 mm -74.15 97.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 40.9 p -67.05 -48.04 69.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.99 116.68 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.06 -40.45 97.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 32.6 p -59.93 -33.88 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 788' ' ' GLU . 0.1 OUTLIER -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.626 ' HG3' HG21 ' A' ' 783' ' ' ILE . 12.3 mtp180 -68.37 -42.48 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -64.86 -47.04 79.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -65.29 -43.75 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -41.24 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.634 ' CD1' HD11 ' A' ' 770' ' ' ILE . 18.4 t80 -62.26 -45.42 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -57.8 -44.3 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.568 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.4 t0 -62.81 -40.45 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -61.19 -44.09 97.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -62.3 -40.61 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.6 t-80 -59.69 -45.2 92.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 795' ' ' ASP . 20.2 t -67.29 -34.78 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.32 -45.37 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.5 pt-20 -66.75 -42.16 86.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.419 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 39.3 m80 -70.11 -33.67 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' GLU . . . . . 0.53 ' HG3' HG12 ' A' ' 799' ' ' VAL . 5.5 mt-10 -65.26 -43.0 92.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 8.4 t -90.8 26.04 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -104.2 45.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.2 m80 42.51 38.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 56.7 p -173.95 164.8 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -88.21 159.88 30.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.81 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 m -100.46 120.64 40.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 52.3 p -110.68 176.33 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 29.9 t -113.98 116.67 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.8 t -92.98 91.08 7.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -143.99 -98.7 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 18.1 m -98.25 113.49 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 31.3 t -91.74 44.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -88.19 -58.06 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -65.88 -42.85 89.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.09 -44.89 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 783' ' ' ILE . 15.9 mtpp -65.2 -46.55 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -58.95 -44.41 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.5 t -61.93 -44.89 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.507 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 29.8 t80 -65.32 -49.26 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -60.83 -42.31 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 4.9 m -59.71 -45.25 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -59.49 -42.92 93.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.551 HD22 HD11 ' A' ' 761' ' ' ILE . 78.7 mt -59.18 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 755' ' ' LYS . . . . . 0.499 ' HG2' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -67.49 -32.36 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -80.68 5.91 14.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -80.07 154.81 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.471 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -144.52 122.86 6.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.69 170.04 60.08 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.419 -0.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.56 33.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.551 HD11 HD22 ' A' ' 754' ' ' LEU . 84.8 mt -38.24 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.83 158.49 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.17 27.0 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 157.46 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.97 141.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.585 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.0 t-105 -51.44 -53.03 41.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.33 -22.04 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 772' ' ' GLU . 26.9 t70 -80.16 -21.1 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' A' ' 793' ' ' PHE . 17.6 pt -110.06 -18.64 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.7 ptm180 -64.99 -46.32 81.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 5.3 pm0 -59.3 -24.75 63.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -75.82 -32.46 59.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.3 6.26 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.512 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.9 p -52.62 -15.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.402 ' HD2' HG12 ' A' ' 775' ' ' VAL . 0.0 OUTLIER -102.95 -37.55 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -40.4 154.22 0.2 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -39.08 7.07 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -61.35 -37.26 82.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 28.0 t80 -74.26 -42.66 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -24.26 67.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.21 -42.1 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' A' ' 746' ' ' LYS . 11.2 mm -81.45 101.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.3 p -76.65 -37.72 55.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.559 ' H ' HD12 ' A' ' 785' ' ' LEU . 4.5 mp -71.04 115.78 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.423 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 30.5 tt0 -57.82 -41.47 82.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.9 p -59.92 -36.42 76.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.91 -40.7 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 28.1 mtt85 -71.13 -35.18 71.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -70.18 -46.85 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -47.6 85.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.88 -41.0 87.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.593 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.8 t80 -59.16 -44.72 92.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.4 t0 -65.34 -39.4 92.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 754' ' ' LEU . 3.3 t80 -62.09 -39.95 94.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.593 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.7 mtp -68.59 -39.25 81.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.513 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.0 t60 -59.81 -45.39 92.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 795' ' ' ASP . 13.5 t -73.71 -35.43 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 761' ' ' ILE . 15.4 tp -54.45 -47.45 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 19.1 pt-20 -74.45 -36.57 63.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.512 ' CE1' ' CE1' ' A' ' 798' ' ' HIS . 3.0 m80 -59.37 -41.93 90.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.63 -43.95 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.61 -50.3 70.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -60.39 127.79 33.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -55.56 119.73 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 17.3 t -157.57 126.95 5.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 91.4 -161.33 27.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 131.5 21.34 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.619 2.212 . . . . 0.0 112.32 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 66.8 m -42.11 122.3 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 42.2 m -80.02 151.44 29.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.7 m -73.99 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 91.8 p -90.56 154.87 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -103.13 -141.43 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 32.5 p -95.18 87.33 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.0 m -110.63 99.88 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -129.99 -72.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -69.89 -35.39 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -73.85 -37.6 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 40.7 mttp -67.72 -45.65 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.75 -45.24 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 17.9 t -62.04 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.4 77.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 754' ' ' LEU . 36.7 t80 -65.03 -49.08 71.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.03 -44.39 97.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.4 t -60.58 -38.75 85.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.415 ' HE1' ' HB2' ' A' ' 780' ' ' PHE . 47.4 ttp -62.96 -44.19 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 761' ' ' ILE . 17.6 mt -63.44 -42.61 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -62.57 -35.93 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -90.8 8.44 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.41 156.3 37.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -143.82 124.48 7.84 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.594 0.711 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.68 169.95 60.49 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.327 -0.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.13 27.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.738 HD11 HD22 ' A' ' 754' ' ' LEU . 98.0 mt -49.94 104.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.08 167.56 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.2 -30.18 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -97.54 28.86 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.84 146.69 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.0 t -102.59 140.43 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.573 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.3 t-105 -50.91 -53.29 33.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 79.7 mt-10 -66.89 -23.6 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.452 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 6.5 t70 -77.53 -19.86 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 18.9 pt -113.16 -17.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.636 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.5 ptm180 -63.36 -51.06 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.8 tt0 -54.77 -22.52 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -74.13 -34.07 63.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -109.32 -4.69 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.64 HG22 ' CZ ' ' A' ' 780' ' ' PHE . 2.5 t -56.56 -22.77 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -90.04 -19.65 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.57 153.68 91.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -38.41 7.72 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -56.36 -40.12 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.64 ' CZ ' HG22 ' A' ' 775' ' ' VAL . 0.9 OUTLIER -75.89 -44.14 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.02 -22.08 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.86 -34.33 77.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 46.3 mm -81.86 96.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 71.5 p -67.93 -47.12 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 785' ' ' LEU . 5.2 mp -68.05 118.62 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.93 -39.34 94.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.4 p -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -60.48 -42.02 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 40.3 mtt180 -69.03 -41.55 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -63.27 -46.61 86.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.22 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.27 -41.21 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 41.5 t80 -60.03 -43.4 95.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -61.27 -45.06 96.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.7 t70 -64.17 -41.83 96.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 800' ' ' LEU . 17.5 t80 -61.16 -40.58 94.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.2 mtp -66.07 -40.16 90.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' ' 801' ' ' GLU . 1.9 t-80 -59.41 -45.72 90.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.5 t -72.73 -35.07 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 796' ' ' PHE . 12.6 tp -54.63 -46.0 73.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 13.9 pt-20 -73.6 -42.08 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.491 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 19.2 m80 -62.24 -33.93 75.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -74.08 -45.66 47.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 805' ' ' GLN . 58.1 m -71.91 -61.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 805' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 804' ' ' CYS . 15.7 mm-40 37.24 50.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -121.5 -57.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 36.4 p -50.11 143.08 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 809' ' ' PRO . . . -73.68 -61.14 3.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 808' ' ' GLY . 53.8 Cg_endo -69.72 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 70.3 m -118.74 -45.27 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.0 m -76.4 107.71 8.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 14.1 m -58.82 -46.39 87.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 77.2 p -83.49 118.09 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -145.23 -62.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 58.6 p -113.99 91.93 3.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 85.7 p -84.08 168.16 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 742' ' ' GLY . . . . . 0.469 ' C ' ' NZ ' ' A' ' 746' ' ' LYS . . . 145.15 122.62 1.55 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 51.8 mtm -61.57 -22.79 65.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -67.99 -42.46 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -72.17 -40.52 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.469 ' NZ ' ' C ' ' A' ' 742' ' ' GLY . 2.5 mtmp? -67.59 -44.06 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.88 -45.46 74.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 15.6 t -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.27 86.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 754' ' ' LEU . 37.3 t80 -61.94 -48.92 78.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 751' ' ' LYS . . . . . 0.417 ' HA ' HD12 ' A' ' 754' ' ' LEU . 6.0 mtmp? -62.64 -47.43 83.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.6 t -61.17 -37.67 83.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.407 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 39.3 ttp -62.63 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.781 HD22 HD11 ' A' ' 761' ' ' ILE . 14.5 mt -63.16 -41.54 99.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -68.15 -28.75 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -82.89 -6.95 59.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.403 ' HB2' ' HE1' ' A' ' 774' ' ' PHE . . . -68.52 166.09 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.443 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -153.66 123.59 3.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.512 0.672 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.76 170.06 60.34 Favored 'Cis proline' 0 C--O 1.231 0.133 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.375 0.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 142.2 47.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.781 HD11 HD22 ' A' ' 754' ' ' LEU . 70.1 mt -47.82 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -64.68 164.3 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.35 -29.0 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -99.29 28.96 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -93.53 146.38 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 770' ' ' ILE . 59.9 t -102.82 143.73 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.0 t-105 -51.14 -53.35 35.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.443 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.9 mt-10 -67.61 -21.93 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.41 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 14.5 t0 -81.86 -16.29 51.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 766' ' ' VAL . 15.9 pt -115.04 -19.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.3 ptm180 -62.33 -44.18 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.6 tt0 -54.63 -24.11 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 773' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 30.3 mtp85 -73.11 -33.98 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' A' ' 754' ' ' LEU . 6.6 m-85 -109.1 -4.32 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.3 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -101.72 -8.88 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.93 152.55 68.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -39.13 6.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.407 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -57.36 -44.42 84.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 0.2 OUTLIER -75.73 -35.13 60.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.34 -21.77 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' ASP . . . . . 0.439 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 9.5 t0 -65.87 -35.85 81.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 11.6 mm -74.9 98.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 18.3 p -64.15 -48.08 77.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.75 118.54 16.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.41 -35.18 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 73.9 p -61.44 -35.62 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -59.97 -40.15 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 29.9 mtm180 -71.59 -38.98 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 790' ' ' LYS . . . . . 0.515 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 8.4 ttmt -64.44 -46.03 84.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.36 -46.11 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -41.29 88.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.3 t80 -59.43 -45.15 92.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -59.83 -45.38 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 799' ' ' VAL . 11.6 t70 -61.81 -42.92 99.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.0 t80 -60.92 -37.97 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.7 mtp -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 2.0 t-80 -60.24 -45.22 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 795' ' ' ASP . 18.8 t -67.3 -34.7 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.63 -45.32 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.5 pt-20 -66.92 -42.53 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -70.25 -33.58 71.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' GLU . . . . . 0.461 ' HG2' HG12 ' A' ' 799' ' ' VAL . 4.3 mm-40 -75.74 -40.01 56.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 9.0 m -106.65 42.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -74.55 128.38 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 37.2 m80 57.85 33.56 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 32.1 t -133.67 153.58 51.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -102.63 121.56 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.81 18.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.268 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 3.2 t -157.67 131.91 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 37.9 t -154.67 129.36 9.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.425 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 37.7 t 57.12 42.85 25.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.9 t -146.38 146.95 30.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 121.08 66.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 124.23 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 11.5 p -76.3 155.61 34.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -121.3 -165.34 12.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -63.6 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.85 95.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -67.08 -36.65 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -68.36 -47.1 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.23 -48.47 80.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 13.6 t -62.05 -43.83 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.55 74.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.797 ' CE2' HD11 ' A' ' 754' ' ' LEU . 49.7 t80 -66.03 -48.6 70.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 751' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' A' ' 754' ' ' LEU . 5.3 mtmp? -60.26 -44.31 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 p -59.84 -44.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.722 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 42.2 ttp -59.37 -44.03 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.797 HD11 ' CE2' ' A' ' 750' ' ' PHE . 22.7 mt -61.26 -35.92 78.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.55 -36.09 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -80.82 -0.77 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.09 153.24 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.461 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -142.39 124.35 8.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.7 169.94 60.61 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 128.96 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 87.0 mt -37.95 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.79 -175.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 61.7 mt -84.41 -18.84 34.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.92 27.72 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.18 143.84 27.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 49.8 t -102.85 140.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -51.09 -53.09 37.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.427 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 43.2 mt-10 -64.85 -24.14 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.64 -24.77 56.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.447 ' O ' ' CD1' ' A' ' 774' ' ' PHE . 18.1 pt -107.63 -17.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.427 ' CD ' ' HA ' ' A' ' 768' ' ' GLU . 4.2 ptm180 -63.95 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.87 -21.95 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -76.08 -30.06 58.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 776' ' ' LYS . 4.5 m-85 -107.39 -7.73 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.537 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 6.7 p -35.44 -33.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 774' ' ' PHE . 18.5 mmmt -96.27 -40.54 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.4 mm-40 -37.23 148.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -38.65 7.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.722 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -59.97 -41.21 91.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 1.1 t80 -72.87 -42.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.21 -24.46 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -35.3 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 789' ' ' ARG . 29.9 mm -87.93 72.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 784' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.9 OUTLIER -47.51 -40.12 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -74.66 104.0 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 787' ' ' SER . 8.5 pt-20 -51.88 -34.99 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 787' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 80.2 p -59.82 -39.47 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 26.7 mm-40 -59.95 -37.7 80.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.459 ' HG2' HG21 ' A' ' 783' ' ' ILE . 25.9 mtt85 -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -66.22 -45.24 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -63.52 -47.46 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.88 -41.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 55.7 t80 -60.07 -43.4 95.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -61.44 -44.73 96.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.6 t0 -63.69 -42.1 98.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.44 ' CE1' HD13 ' A' ' 800' ' ' LEU . 20.6 t80 -61.59 -40.75 95.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.543 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 38.2 mtp -65.43 -40.76 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.431 ' O ' ' HG2' ' A' ' 801' ' ' GLU . 1.6 t-80 -59.43 -45.67 90.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.0 t -72.84 -35.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 796' ' ' PHE . 11.7 tp -54.54 -46.05 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 8.2 pt-20 -73.58 -42.09 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.5 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 13.0 m80 -59.73 -38.77 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.02 -46.7 33.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 69.0 m -78.98 46.49 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -92.5 -26.93 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -122.9 177.73 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 73.1 m -51.39 125.71 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -146.78 -172.2 16.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.727 2.285 . . . . 0.0 112.286 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 p -69.11 153.47 43.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 36.4 p -58.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 11.6 t -113.29 -50.63 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.827 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 59.5 p 42.97 41.87 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 125.92 111.27 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 2.9 m -111.96 109.66 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.0 t -163.48 107.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -166.69 114.24 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.89 -31.97 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.29 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -68.83 -42.9 76.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -61.03 -46.58 90.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 747' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -64.38 -39.22 93.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 47.7 t -63.46 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.24 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.613 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 34.8 t80 -63.48 -48.95 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -65.03 -43.21 93.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.0 m -60.63 -38.05 83.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.686 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 42.2 ttp -66.02 -44.79 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.604 HD11 ' CE1' ' A' ' 750' ' ' PHE . 60.0 mt -59.07 -39.26 81.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.83 10.18 10.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.19 175.85 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.477 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -160.54 124.61 2.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.83 169.54 63.15 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.355 0.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.74 19.89 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.454 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 754' ' ' LEU . 84.3 mt -40.75 105.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -68.53 -175.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.68 -17.17 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -113.68 28.03 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 765' ' ' ALA . . . . . 0.406 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -84.48 139.95 31.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 82.0 t -105.13 142.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.531 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.6 t-105 -52.35 -52.96 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -65.77 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.95 -23.49 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.502 HD12 HD22 ' A' ' 754' ' ' LEU . 18.9 pt -107.11 -19.2 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -63.53 -39.72 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.0 -31.7 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -72.88 -29.98 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 754' ' ' LEU . 6.3 m-85 -112.26 8.39 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 771' ' ' ARG . 7.8 p -57.64 -11.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -115.91 -26.93 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.433 ' CB ' ' SD ' ' A' ' 753' ' ' MET . 5.7 mm-40 -49.32 153.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -39.23 6.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.686 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.7 -38.04 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.14 -43.54 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -61.83 -25.4 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.02 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.11 113.48 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.8 p -89.03 -56.2 3.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.584 HD12 ' CG ' ' A' ' 788' ' ' GLU . 0.7 OUTLIER -49.98 125.26 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -60.86 -44.96 96.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 72.7 p -61.99 -33.1 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.584 ' CG ' HD12 ' A' ' 785' ' ' LEU . 4.1 mm-40 -60.07 -42.48 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.04 -41.38 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -65.11 -44.88 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -60.95 -46.81 89.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.67 -42.7 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.536 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 39.1 t80 -60.59 -42.8 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -62.12 -43.93 97.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.28 -41.77 97.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 8.5 t80 -61.37 -47.96 83.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.536 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.4 mtp -60.13 -39.58 86.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.2 t60 -59.84 -45.37 92.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.62 -34.44 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.26 -45.46 93.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.1 pt-20 -66.4 -40.03 89.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 36.5 m80 -72.33 -36.22 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.36 -33.09 49.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.76 -24.08 28.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.6 -66.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -38.5 -66.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 94.8 p -120.47 110.21 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 139.8 85.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 97.39 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.3 p -118.77 45.28 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.785 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 35.1 t -103.31 101.51 11.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 5.9 t -50.24 171.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 738' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 739' ' ' GLY . 32.7 t -97.32 81.43 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 739' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 738' ' ' SER . . . 35.76 -105.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 92.7 p 42.28 49.68 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 96.1 p -132.0 47.61 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 90.25 -51.53 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 743' ' ' MET . . . . . 0.449 ' HA ' ' NZ ' ' A' ' 746' ' ' LYS . 21.0 ptp -61.02 -28.93 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.803 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -43.67 98.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -73.6 -31.58 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.449 ' NZ ' ' HA ' ' A' ' 743' ' ' MET . 6.4 mtmp? -67.46 -46.77 72.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.44 -43.06 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.8 p -61.42 -45.95 92.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.95 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 754' ' ' LEU . 34.4 t80 -63.86 -48.68 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -62.2 -47.2 85.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.1 t -59.87 -36.44 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.531 ' SD ' ' CG ' ' A' ' 774' ' ' PHE . 15.3 tmm? -66.81 -39.66 87.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.627 HD22 HD12 ' A' ' 770' ' ' ILE . 33.7 mt -67.25 -44.2 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 755' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 756' ' ' GLN . 9.5 pttm -67.2 -36.08 80.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 756' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 755' ' ' LYS . 6.5 pt20 -80.94 0.04 37.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.14 154.98 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.447 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -138.55 122.69 11.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.654 0.74 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.73 169.97 60.62 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 127.68 14.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 754' ' ' LEU . 77.2 mt -41.43 105.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.47 -177.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 59.0 mt -78.64 -22.31 47.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -105.66 27.37 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 765' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -85.34 145.3 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 28.6 t -108.49 142.94 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.548 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.1 t-105 -51.26 -53.05 39.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 57.4 mt-10 -65.23 -24.47 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -74.75 -25.31 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.627 HD12 HD22 ' A' ' 754' ' ' LEU . 15.7 pt -106.61 -19.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.9 ptm180 -62.91 -35.94 81.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.09 -30.47 70.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -72.78 -31.84 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.531 ' CG ' ' SD ' ' A' ' 753' ' ' MET . 7.6 m-85 -109.04 0.26 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.536 HG13 ' HG2' ' A' ' 776' ' ' LYS . 7.1 p -40.77 -32.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.536 ' HG2' HG13 ' A' ' 775' ' ' VAL . 20.9 mmtt -93.35 -35.07 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 776' ' ' LYS . 57.9 mm-40 -35.79 149.23 0.13 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 778' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.3 Cg_endo -69.75 -36.43 10.84 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.82 2.347 . . . . 0.0 112.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.36 71.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.555 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.9 t80 -75.72 -50.99 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 781' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 3.7 pt-20 -65.54 -21.84 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.85 -41.1 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 785' ' ' LEU . 12.6 mm -74.85 86.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 17.4 p -54.58 -39.3 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 783' ' ' ILE . 5.5 mp -81.74 121.26 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.94 -39.85 95.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 1.2 m -59.93 -33.36 71.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 16.9 mm-40 -60.88 -39.93 91.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.555 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 36.6 mtm180 -71.58 -40.87 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -62.71 -45.8 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -62.13 -47.89 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.09 -40.98 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 57.0 t80 -59.2 -43.3 92.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -62.56 -45.34 93.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.1 t0 -66.44 -39.21 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -62.15 -43.11 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.573 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 42.5 mtp -65.65 -39.12 91.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 2.2 t-80 -60.31 -45.07 94.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 795' ' ' ASP . 5.3 t -66.97 -34.82 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.22 -45.21 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.84 -42.27 86.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.2 m80 -70.77 -33.62 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -34.24 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.21 44.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -90.04 -46.82 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -95.63 52.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 4.0 t 58.05 52.96 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -53.3 146.11 20.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 809' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 810' ' ' SER . 53.5 Cg_endo -69.67 2.64 3.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 810' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 809' ' ' PRO . 2.5 m -34.39 -40.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.8 t -76.79 111.3 12.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 60.3 p -147.3 118.44 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.935 0.398 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.1 m -81.46 115.84 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -179.9 -71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 23.1 t -148.91 156.53 42.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 36.7 p -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 167.24 41.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 29.9 tpp -65.04 -45.02 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -65.43 -44.73 86.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -67.25 -45.73 75.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.2 -47.1 87.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.03 -40.4 96.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 20.4 m -62.01 -45.83 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.65 81.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.77 ' CE1' HD11 ' A' ' 754' ' ' LEU . 40.3 t80 -62.18 -49.27 76.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -60.15 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.3 m -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.693 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 39.2 ttp -60.05 -41.43 92.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.77 HD11 ' CE1' ' A' ' 750' ' ' PHE . 18.0 mt -67.45 -37.5 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -63.52 -36.09 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -86.94 5.43 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.0 147.05 47.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.447 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -135.06 124.51 16.51 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.78 169.43 63.46 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.381 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 136.53 33.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 754' ' ' LEU . 79.3 mt -45.21 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.55 -175.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 30.7 mt -84.68 -33.94 23.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.85 36.24 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.72 149.79 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.5 t -103.34 136.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.3 t-105 -54.03 -51.19 64.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.443 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.2 mt-10 -66.16 -21.91 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.447 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 10.9 t70 -82.15 -21.2 36.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.411 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 19.5 pt -107.81 -19.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.465 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.1 ptm180 -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 775' ' ' VAL . 15.8 pt-20 -53.73 -19.57 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 773' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 758' ' ' ALA . 73.5 mtp180 -81.27 -26.83 35.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 8.1 m-85 -111.45 -8.25 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.2 m -37.46 -43.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 777' ' ' GLU . 3.1 mmmm -78.5 -44.59 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 776' ' ' LYS . 78.6 mm-40 -34.46 151.11 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -38.97 6.94 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.282 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.693 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.16 -36.09 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 4.8 t80 -75.48 -46.75 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.44 -24.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.87 -41.29 91.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.455 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 11.1 mm -80.37 103.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 16.5 p -75.27 -43.45 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.518 ' H ' HD12 ' A' ' 785' ' ' LEU . 5.1 mp -70.89 119.95 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.436 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.5 pt-20 -61.22 -39.02 88.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.4 p -59.87 -34.61 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.6 -42.17 98.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 767' ' ' TRP . 32.6 mtt85 -69.03 -36.13 77.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -70.14 -46.89 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.99 -44.5 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.86 -44.03 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 41.0 t80 -58.66 -45.47 89.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.28 -44.15 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.2 t70 -61.96 -43.08 99.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -60.77 -40.05 91.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.545 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.3 mtp -64.07 -41.36 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 7.0 t-80 -59.92 -45.47 92.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 795' ' ' ASP . 38.7 t -66.8 -34.85 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.4 -45.28 94.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.4 pt-20 -67.11 -41.54 86.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.433 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 39.8 m80 -70.87 -33.43 70.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.13 -45.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 93.1 m -111.84 74.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.29 166.73 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 55.97 53.39 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 87.9 p -98.09 -36.69 10.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -173.7 -158.58 18.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 15.6 m -117.86 109.34 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.784 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 54.3 p -117.91 -42.91 2.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.46 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 53.4 m -127.31 169.77 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 61.7 p -144.24 125.69 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.59 1.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.2 m -153.88 126.61 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 62.3 p -94.17 43.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -104.73 139.33 14.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 4.1 ptp -65.83 -44.04 86.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -62.07 -41.53 98.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.84 -39.24 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.441 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 20.6 mttm -68.23 -49.6 59.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.61 -43.36 97.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.7 t -61.92 -45.98 91.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 754' ' ' LEU . 37.5 t80 -61.27 -49.01 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -63.69 -44.86 92.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 34.5 t -59.78 -41.77 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 14.5 tmm? -62.81 -40.85 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 750' ' ' PHE . 50.9 mt -63.33 -36.88 85.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -69.06 -35.95 77.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -86.76 12.06 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.16 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -132.2 124.38 19.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.76 170.36 58.87 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.62 -1.825 . . . . 0.0 112.381 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.99 36.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.28 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 43.2 mt -55.18 105.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -70.68 -179.36 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -77.24 -29.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -99.85 32.61 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -96.3 139.25 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.508 HG12 ' OE2' ' A' ' 768' ' ' GLU . 24.1 t -98.45 144.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 12.2 t-105 -54.55 -45.41 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.508 ' OE2' HG12 ' A' ' 766' ' ' VAL . 1.6 mp0 -67.16 -21.85 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.97 -35.43 50.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 16.2 pt -100.07 -15.26 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 775' ' ' VAL . 1.2 ttt-85 -65.01 -52.74 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.81 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.44 ' HA ' ' CG2' ' A' ' 775' ' ' VAL . 8.8 tp10 -54.65 -35.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -62.06 -33.93 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 10.9 m-85 -105.18 -8.57 18.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.499 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 1.9 t -47.91 -26.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -93.9 -20.48 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 774' ' ' PHE . 75.2 mm-40 -64.63 149.38 95.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 778' ' ' PRO . . . . . 0.416 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.8 Cg_endo -69.75 -38.31 8.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.72 71.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 4.5 t80 -76.17 -51.26 12.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 1.8 pt-20 -63.91 -21.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 782' ' ' ASP . . . . . 0.441 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 10.2 t0 -65.24 -10.15 29.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.647 HG21 ' HG2' ' A' ' 789' ' ' ARG . 18.5 mm -97.71 91.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.2 p -58.54 -46.27 87.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.43 ' O ' HG22 ' A' ' 783' ' ' ILE . 5.6 mp -80.11 115.56 19.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -59.04 -35.41 73.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.5 p -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 792' ' ' ILE . 31.8 mt-10 -60.82 -40.51 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.647 ' HG2' HG21 ' A' ' 783' ' ' ILE . 17.0 mtm180 -70.64 -38.04 73.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.71 -46.14 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -64.96 -46.16 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 788' ' ' GLU . 63.6 mt -60.96 -40.83 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.597 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.6 t80 -61.1 -45.34 95.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -59.8 -45.14 93.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.71 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.2 t0 -62.46 -41.05 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 10.9 t80 -61.97 -40.19 94.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.597 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 30.8 mtp -65.94 -41.47 91.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 2.9 t-80 -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 795' ' ' ASP . 9.6 t -67.02 -34.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.25 -45.47 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.6 pt-20 -66.42 -42.2 88.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.5 m80 -71.18 -33.68 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.8 -45.33 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 6.5 m -53.5 -47.08 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -95.26 146.26 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.11 151.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 69.2 m -120.2 -57.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 89.76 -162.92 30.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -21.69 33.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 m -62.22 166.84 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 14.1 p -97.25 -55.07 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.44 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 8.5 t -41.84 117.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 8.5 p -100.95 -20.86 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 168.56 -141.58 6.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 56.2 m -98.97 85.83 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.9 m -131.75 154.94 48.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -106.07 -39.09 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.54 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 22.1 tpp -64.07 -39.25 93.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -67.35 -41.3 85.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -71.46 -48.64 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 746' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 23.4 mttm -62.93 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.99 -46.86 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 21.6 m -61.76 -41.47 97.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.751 ' CE1' HD11 ' A' ' 754' ' ' LEU . 50.8 t80 -64.95 -49.13 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 751' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 754' ' ' LEU . 33.2 mtmt -60.01 -45.11 93.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 t -61.37 -40.68 95.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.39 -41.5 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.751 HD11 ' CE1' ' A' ' 750' ' ' PHE . 17.2 mt -65.4 -38.58 90.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.28 -36.13 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.51 4.35 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 149.33 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.182 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.458 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -136.86 123.23 13.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.72 170.07 60.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.307 0.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.79 38.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.215 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 754' ' ' LEU . 72.5 mt -49.03 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.49 -174.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.6 mt -84.25 -28.64 27.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.73 35.66 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -99.19 140.04 33.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 96.6 t -101.74 150.3 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.582 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.31 -53.17 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.462 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.4 mt-10 -65.38 -21.98 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.429 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.1 m-20 -78.84 -26.94 44.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.495 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 17.5 pt -103.54 -20.17 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.533 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 6.4 ptm180 -63.68 -50.88 67.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.782 ' O ' HG22 ' A' ' 775' ' ' VAL . 8.1 tp10 -53.76 -19.53 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 773' ' ' ARG . . . . . 0.44 ' NH2' ' HD2' ' A' ' 759' ' ' PRO . 27.9 mtp180 -81.39 -26.94 35.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 777' ' ' GLU . 10.3 m-85 -111.13 -8.16 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.3 m -38.01 -38.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -83.53 -33.59 25.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 774' ' ' PHE . 6.7 mm-40 -48.36 149.6 2.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.76 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -38.98 6.9 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.26 76.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.599 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 t80 -75.79 -46.08 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.12 -21.9 66.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.88 -27.76 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 14.9 mm -96.1 88.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.8 p -57.31 -32.89 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.495 ' CB ' ' HG2' ' A' ' 788' ' ' GLU . 6.1 mt -78.87 107.85 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 787' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 72.4 p -62.52 -36.8 83.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.495 ' HG2' ' CB ' ' A' ' 785' ' ' LEU . 56.2 mm-40 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.599 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 39.9 mtm180 -67.7 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -61.36 -46.48 90.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -65.12 -44.83 87.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.81 -40.97 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 13.5 t80 -62.61 -43.94 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -57.94 -45.48 86.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 799' ' ' VAL . 4.2 t0 -61.56 -40.41 94.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.1 t80 -60.82 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.8 mtp -64.35 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.5 t-80 -60.01 -45.2 93.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 795' ' ' ASP . 23.1 t -67.27 -34.68 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -60.5 -45.27 94.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.1 m80 -70.44 -33.61 71.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -68.15 -39.87 82.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.44 -43.79 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.01 41.35 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.4 m80 39.86 42.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 1.2 t -110.43 168.69 9.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -155.59 145.19 11.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.53 69.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.5 t -49.2 -49.44 42.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.8 t -71.42 134.4 46.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 55.8 m -104.16 115.18 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 29.3 t -157.33 151.15 24.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -167.92 130.36 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.4 m -106.51 111.44 24.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 39.4 m -103.71 -9.87 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 97.31 -109.09 3.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 44.3 mtt -65.7 -33.7 76.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -67.42 -39.71 85.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.14 -41.93 85.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -65.88 -46.42 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.662 ' CE1' HD11 ' A' ' 754' ' ' LEU . 41.4 t80 -62.75 -48.73 77.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.12 -45.52 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 9.7 t -60.0 -39.13 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.47 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 37.1 ttp -62.84 -43.97 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.662 HD11 ' CE1' ' A' ' 750' ' ' PHE . 24.8 mt -60.33 -41.57 93.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -68.96 -28.77 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -83.99 1.49 43.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.535 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -75.05 172.37 12.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.454 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -157.83 124.73 2.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.8 169.75 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.618 -1.826 . . . . 0.0 112.346 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 760' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 761' ' ' ILE . 54.2 Cg_endo -69.76 130.52 19.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 754' ' ' LEU . 85.6 mt -35.09 105.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.14 -176.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.65 -21.42 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.19 28.4 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 141.03 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 766' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 39.6 t -95.11 142.29 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -50.98 -53.13 35.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 83.9 mt-10 -65.29 -22.0 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 769' ' ' ASP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.6 m-20 -79.26 -22.14 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.488 HD11 ' CD1' ' A' ' 793' ' ' PHE . 21.5 pt -111.21 -15.07 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 775' ' ' VAL . 4.9 ptm180 -65.19 -46.36 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 2.6 pp20? -54.59 -22.42 13.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 773' ' ' ARG . . . . . 0.416 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 32.7 mtm180 -72.97 -33.0 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 6.0 m-85 -111.31 -5.34 14.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.6 t -55.32 -17.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -100.07 -21.89 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.98 153.42 95.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -37.62 8.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.47 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -55.84 -40.13 72.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.3 t80 -76.01 -46.8 27.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.84 -22.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -28.61 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 10.8 mm -87.03 99.19 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -72.56 -38.07 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.796 HD13 ' HG3' ' A' ' 788' ' ' GLU . 0.2 OUTLIER -78.78 109.95 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.09 -35.83 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.1 p -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.796 ' HG3' HD13 ' A' ' 785' ' ' LEU . 36.1 mm-40 -60.29 -44.91 94.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 43.2 mtm180 -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -69.04 -46.46 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -63.42 -44.56 94.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.92 -44.37 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 33.8 t80 -58.73 -45.13 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -58.18 -45.07 88.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 799' ' ' VAL . 4.5 t70 -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.2 t80 -63.76 -39.56 94.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.3 mtp -66.39 -41.46 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.564 ' CE1' ' CE1' ' A' ' 802' ' ' HIS . 3.8 t60 -59.83 -45.35 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.0 t -73.0 -35.17 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 800' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 796' ' ' PHE . 13.7 tp -55.01 -46.68 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 21.9 pt-20 -74.1 -37.88 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.564 ' CE1' ' CE1' ' A' ' 798' ' ' HIS . 4.1 m80 -59.18 -41.59 88.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -74.07 -46.82 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 3.4 t -91.79 36.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.41 -47.87 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -85.37 -39.28 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 66.5 m -50.64 -47.7 58.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.783 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -108.62 142.89 16.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 809' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 810' ' ' SER . 54.6 Cg_endo -69.72 153.33 69.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.733 2.288 . . . . 0.0 112.371 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 810' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 809' ' ' PRO . 16.7 m 35.53 50.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 39.4 t -68.2 -43.73 77.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.7 t -69.07 90.53 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 65.4 p -160.04 146.53 15.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 142.11 151.83 5.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 73.0 m -106.69 -59.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 64.0 p -167.46 145.83 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 129.18 -139.07 10.69 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.47 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -69.16 -43.99 73.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.32 -42.08 84.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -61.06 -50.23 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 747' ' ' GLU . . . . . 0.413 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -60.97 -42.23 97.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.1 m -61.91 -44.3 97.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.65 ' CE1' HD11 ' A' ' 754' ' ' LEU . 33.4 t80 -65.34 -49.17 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 751' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 754' ' ' LEU . 29.1 mttm -62.23 -38.21 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -66.02 -40.98 91.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 753' ' ' MET . . . . . 0.48 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 35.6 ttp -61.75 -43.27 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.65 HD11 ' CE1' ' A' ' 750' ' ' PHE . 11.9 mt -65.23 -40.98 94.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -62.0 -35.41 78.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.7 8.96 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.31 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.442 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.76 123.9 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.196 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.0 Cg_endo -69.75 169.83 61.42 Favored 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.765 -1.765 . . . . 0.0 112.345 0.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 760' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.0 Cg_endo -69.84 126.64 13.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.613 2.208 . . . . 0.0 112.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 761' ' ' ILE . . . . . 0.439 HD11 HD22 ' A' ' 754' ' ' LEU . 56.8 mt -34.25 105.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.25 -177.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.61 -35.43 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.06 28.36 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -83.67 140.71 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.08 141.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.1 t-105 -51.64 -52.46 47.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.445 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 26.9 mp0 -66.7 -23.04 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.5 -23.99 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 19.8 pt -107.3 -20.02 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.2 ptm180 -63.59 -45.29 91.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 772' ' ' GLU . . . . . 0.784 ' O ' HG22 ' A' ' 775' ' ' VAL . 6.3 tp10 -53.8 -20.15 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -81.12 -26.8 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 774' ' ' PHE . . . . . 0.485 ' CE2' HD23 ' A' ' 754' ' ' LEU . 11.4 m-85 -111.76 -7.74 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.0 OUTLIER -37.44 -30.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 774' ' ' PHE . 27.1 mtmm -96.09 -41.81 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 776' ' ' LYS . 64.0 mm-40 -37.24 151.14 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -39.13 7.03 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.48 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.89 -38.54 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 0.6 OUTLIER -75.21 -41.44 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.78 -23.4 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.96 -39.71 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.46 ' O ' ' NE ' ' A' ' 789' ' ' ARG . 24.4 mm -81.77 107.47 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 3.0 p -79.78 -56.36 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 785' ' ' LEU . 0.3 OUTLIER -55.96 123.25 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.19 -39.62 90.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 59.6 p -65.13 -32.99 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.573 ' HG3' HD12 ' A' ' 785' ' ' LEU . 13.9 mt-10 -59.82 -41.9 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 64.4 mtt180 -72.18 -41.88 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -64.01 -46.23 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -60.77 -48.4 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.84 -41.87 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 35.0 t80 -60.72 -45.41 94.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -58.04 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.602 ' O ' HG23 ' A' ' 799' ' ' VAL . 2.9 t70 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.02 -39.36 89.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 36.0 mtp -65.02 -41.13 95.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.479 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.6 t-80 -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 795' ' ' ASP . 8.9 t -66.79 -34.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.55 -45.33 94.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -66.53 -42.28 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.7 m80 -71.4 -33.49 69.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -77.84 -38.84 45.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 5.2 t -88.96 47.06 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 807' ' ' SER . 4.5 tp-100 -139.14 171.09 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 807' ' ' SER . 2.1 p-80 -38.43 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.7 t 34.1 54.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 68.05 -155.83 52.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.05 28.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 m -54.31 95.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 53.4 m -82.31 45.58 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.436 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 24.8 m -88.25 154.69 20.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.9 t -130.89 -52.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 177.79 -49.91 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 87.5 p -40.06 -47.47 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.771 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 93.8 p -70.11 152.58 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -113.72 40.08 2.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 23.4 ttm -63.65 -44.87 92.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -67.69 -41.99 82.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -68.42 -37.86 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -68.66 -47.55 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -64.3 -41.63 96.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 44.0 t -62.44 -42.22 99.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.21 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 754' ' ' LEU . 41.8 t80 -62.64 -48.18 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -62.12 -46.2 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 752' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 755' ' ' LYS . 15.2 m -59.88 -43.83 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -59.84 -39.48 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 754' ' ' LEU . . . . . 0.677 HD11 ' CE1' ' A' ' 750' ' ' PHE . 72.9 mt -64.58 -40.37 95.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 755' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 752' ' ' SER . 7.5 pttp -76.32 -21.55 56.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -79.85 -9.93 59.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.17 165.98 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 758' ' ' ALA . . . . . 0.437 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -148.49 122.29 4.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 759' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.4 Cg_endo -69.68 170.04 60.05 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.388 -0.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 135.62 30.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 51.1 mt -38.24 105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.64 -175.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.96 -13.79 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.16 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.55 139.1 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 62.6 t -101.81 142.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -51.13 -52.31 45.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 768' ' ' GLU . . . . . 0.447 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 12.6 mt-10 -64.46 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -25.72 49.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 770' ' ' ILE . . . . . 0.673 HD12 HD22 ' A' ' 754' ' ' LEU . 26.6 pt -105.32 -19.02 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 771' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.4 ptm180 -64.94 -38.78 92.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.93 -27.34 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 773' ' ' ARG . . . . . 0.407 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 38.1 mtp180 -74.82 -32.39 61.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.11 0.02 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 775' ' ' VAL . . . . . 0.479 HG13 ' HG2' ' A' ' 776' ' ' LYS . 8.6 p -40.93 -33.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 776' ' ' LYS . . . . . 0.479 ' HG2' HG13 ' A' ' 775' ' ' VAL . 16.6 mmtt -90.63 -37.97 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 53.1 mm-40 -37.47 152.25 0.13 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.644 0.735 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -60.33 -36.81 78.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 780' ' ' PHE . . . . . 0.598 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 5.0 t80 -74.7 -47.18 32.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.49 -24.11 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.84 -40.77 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.478 ' CG2' ' HG2' ' A' ' 789' ' ' ARG . 27.9 mm -83.43 111.72 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 6.6 p -85.17 -55.99 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 785' ' ' LEU . 0.5 OUTLIER -55.1 126.32 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -62.16 -45.88 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 88.0 p -60.73 -32.8 72.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' GLU . . . . . 0.5 ' CG ' HD12 ' A' ' 785' ' ' LEU . 39.9 mm-40 -59.76 -43.43 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 789' ' ' ARG . . . . . 0.598 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 60.4 mtt180 -72.03 -35.77 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 790' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 790' ' ' LYS . 0.9 OUTLIER -69.99 -40.3 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.0 -49.04 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.98 -41.04 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.186 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 793' ' ' PHE . . . . . 0.601 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.6 t80 -60.24 -45.27 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -59.78 -45.23 92.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ASP . . . . . 0.731 ' O ' HG23 ' A' ' 799' ' ' VAL . 2.5 t70 -65.2 -38.09 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 796' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 9.0 t80 -62.49 -45.76 91.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 797' ' ' MET . . . . . 0.601 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.0 mtp -63.33 -39.5 94.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 798' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 1.9 t-80 -60.39 -44.99 95.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.1 t -66.78 -34.89 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.33 -45.3 95.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.0 pt-20 -66.54 -41.8 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 802' ' ' HIS . . . . . 0.434 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 40.9 m80 -71.51 -33.57 69.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.05 -37.06 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.48 80.36 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 806' ' ' HIS . 3.9 pt20 -117.21 127.68 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 805' ' ' GLN . 5.1 m-70 -132.57 172.13 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 56.6 m -78.33 84.24 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -148.68 85.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.554 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.24 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 44.9 m -102.25 107.2 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 24.4 t -58.89 103.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.0 ttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.91 98.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -66.96 -41.15 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 p -61.92 -45.83 91.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.76 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' A' ' 754' ' ' LEU . 42.9 t80 -62.52 -48.46 79.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -59.56 -46.38 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.0 t -61.86 -36.9 82.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.439 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 44.0 ttp -63.21 -40.81 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 750' ' ' PHE . 20.4 mt -66.66 -38.51 87.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -65.88 -36.02 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -86.81 11.81 12.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -78.7 164.67 24.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.462 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -149.04 124.05 4.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.478 0.656 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.71 169.93 60.72 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 -1.789 . . . . 0.0 112.351 -0.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.6 Cg_endo -69.79 127.63 14.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 754' ' ' LEU . 32.0 mt -34.25 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.52 -178.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.61 -32.43 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.03 37.42 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.72 150.56 20.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 98.0 t -107.54 140.44 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.578 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -50.83 -53.23 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 20.8 mt-10 -66.16 -22.89 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.406 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 24.7 t70 -79.22 -19.77 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 793' ' ' PHE . 16.0 pt -112.8 -16.51 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.667 ' O ' HG23 ' A' ' 775' ' ' VAL . 6.2 ptm180 -65.09 -49.62 69.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 7.0 tt0 -54.76 -25.33 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -72.28 -33.65 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 14.9 m-85 -107.99 -5.5 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.7 t -58.26 -25.5 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -88.49 -8.53 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -85.69 154.02 58.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -37.37 9.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.439 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -56.86 -40.68 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.639 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.5 t80 -75.33 -46.0 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.93 -22.94 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.91 -33.92 76.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.436 HG21 ' CG ' ' A' ' 789' ' ' ARG . 8.9 mm -78.52 101.81 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 54.7 p -70.03 -45.5 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 118.29 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -61.57 -39.12 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 83.5 p -60.27 -34.49 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.94 -41.63 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.639 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.3 mtm180 -71.97 -35.38 69.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -68.25 -47.02 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 791' ' ' ARG . 3.0 tmt_? -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.21 -41.74 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 770' ' ' ILE . 26.6 t80 -60.57 -45.39 94.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -44.89 89.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.3 t70 -61.43 -42.57 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.3 t80 -61.12 -38.13 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.575 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.0 mtp -65.79 -41.43 91.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.498 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.2 t60 -60.57 -45.01 95.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 795' ' ' ASP . 10.9 t -66.82 -34.93 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.49 -45.3 94.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.4 pt-20 -66.5 -42.19 87.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.0 m-70 -71.27 -33.61 69.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . 0.574 ' HG2' HG12 ' A' ' 799' ' ' VAL . 26.9 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -67.17 -39.1 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 745' ' ' ARG . 7.5 mtp-105 -66.43 -46.13 77.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.51 -45.72 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -62.26 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.8 t -62.11 -41.34 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.51 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 754' ' ' LEU . 44.3 t80 -64.35 -48.95 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -61.29 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 25.2 t -60.29 -40.83 91.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.414 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 33.1 ttp -63.04 -41.38 99.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.71 ' HB3' HD11 ' A' ' 761' ' ' ILE . 58.6 mt -61.98 -40.87 97.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -66.83 -35.83 80.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -83.85 9.33 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -77.94 168.97 19.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.446 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -156.78 123.9 2.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.51 0.671 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.79 169.99 60.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.36 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.78 43.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 754' ' ' LEU . 75.7 mt -45.99 105.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.68 -175.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.61 -27.23 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -110.25 35.89 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.34 143.43 26.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 82.8 t -98.36 142.09 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 6.3 t-105 -52.22 -53.06 48.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 32.0 mt-10 -64.55 -21.83 66.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.433 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 80.5 m-20 -78.53 -25.32 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 793' ' ' PHE . 18.0 pt -107.5 -16.39 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.6 ptm180 -64.94 -50.87 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.9 pt-20 -54.66 -24.62 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -70.12 -31.42 68.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.485 ' CE2' HD23 ' A' ' 754' ' ' LEU . 14.0 m-85 -110.87 -8.25 14.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.5 t -52.4 -27.17 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -88.96 -16.38 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -77.93 153.41 80.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -37.61 9.04 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.425 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.414 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -55.92 -40.09 72.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 2.0 t80 -76.2 -48.03 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.95 -22.59 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.08 -30.92 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.423 HG21 ' HG3' ' A' ' 789' ' ' ARG . 21.2 mm -82.81 101.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 34.2 p -72.2 -40.39 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.1 116.02 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.84 -35.54 76.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 77.7 p -62.16 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.31 -41.7 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.2 mtm180 -70.75 -35.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . 0.415 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 6.4 ttmt -67.88 -46.93 70.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -63.27 -45.07 93.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.13 -42.43 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.8 t80 -60.21 -43.57 95.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -60.99 -45.31 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 799' ' ' VAL . 7.0 t0 -62.12 -43.05 99.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.698 ' CE1' HD12 ' A' ' 761' ' ' ILE . 2.4 t80 -60.88 -37.91 83.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -67.45 -38.09 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.486 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.4 t60 -62.09 -45.23 94.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.2 t -67.1 -34.95 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.2 -45.4 94.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.4 pt-20 -66.42 -42.23 88.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.421 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.6 m-70 -71.05 -33.61 70.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . 0.46 ' HG2' HG12 ' A' ' 799' ' ' VAL . 8.3 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.5 ttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -68.34 -40.55 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -68.98 -47.57 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.84 -49.68 75.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.97 -40.58 80.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 48.5 t -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.18 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 754' ' ' LEU . 43.0 t80 -65.14 -48.74 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -62.04 -42.11 98.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -60.77 -39.58 89.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 52.6 ttp -64.49 -44.16 91.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 750' ' ' PHE . 65.5 mt -58.76 -42.29 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -68.27 -36.05 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.71 11.21 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.49 165.78 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.452 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.23 123.85 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.5 Cg_endo -69.69 169.88 60.9 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.34 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.24 14.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.408 HG23 ' HB3' ' A' ' 765' ' ' ALA . 94.9 mt -37.21 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.71 -178.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.2 mt -78.55 -23.57 46.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.08 28.68 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . 0.408 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -85.17 141.84 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 69.7 t -104.75 146.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.38 -53.04 62.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 18.8 mt-10 -63.06 -22.13 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -78.26 -31.25 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 754' ' ' LEU . 22.4 pt -98.13 -19.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -64.73 -35.97 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.81 -25.53 66.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -76.99 -29.96 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.92 -2.47 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 771' ' ' ARG . 6.7 p -40.47 -36.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 777' ' ' GLU . 15.8 mtpt -89.47 -40.8 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 776' ' ' LYS . 59.6 mm-40 -35.19 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -38.81 7.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.472 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -58.8 -38.83 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -75.8 -41.46 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -64.58 -23.18 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.63 -37.35 76.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 6.4 mm -85.22 82.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -55.95 -37.34 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -79.1 116.34 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.42 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 0.1 OUTLIER -61.04 -35.02 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 92.9 p -59.94 -38.05 81.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 12.8 mt-10 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.521 ' HB3' ' CH2' ' A' ' 767' ' ' TRP . 25.1 mtt85 -69.04 -36.23 77.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . 0.429 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 7.1 ttmt -67.28 -46.67 72.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -62.27 -46.45 88.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.98 -41.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 53.5 t80 -60.27 -43.94 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -60.49 -45.18 94.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.5 t0 -63.74 -41.31 98.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 2.9 t80 -61.15 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.5 mtp -65.37 -39.83 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.0 t60 -60.3 -44.94 94.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.1 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.25 -45.44 94.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.1 pt-20 -66.42 -42.53 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 29.9 m-70 -70.94 -33.62 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . 0.591 ' HG3' HG12 ' A' ' 799' ' ' VAL . 7.4 mt-10 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 20.8 ptt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -70.56 -45.17 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -70.14 -41.32 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.453 ' HB3' HD11 ' A' ' 783' ' ' ILE . 44.6 mttm -65.93 -48.43 71.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.43 -43.48 88.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 28.8 p -62.17 -46.27 89.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.31 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 754' ' ' LEU . 40.7 t80 -64.01 -48.97 74.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -61.95 -40.63 96.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.3 m -61.36 -42.63 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.462 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 57.0 ttp -61.9 -44.17 97.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 750' ' ' PHE . 33.0 mt -61.41 -36.02 79.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.53 -27.26 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -91.22 -7.92 49.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -61.78 143.52 56.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.473 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.74 124.67 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.76 169.94 60.93 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.389 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.04 32.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 754' ' ' LEU . 64.3 mt -44.8 105.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.81 -175.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 38.1 mt -85.97 -16.85 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -112.26 28.93 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.59 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.28 144.07 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.574 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.4 t-105 -53.79 -53.04 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 13.1 mt-10 -64.0 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.65 -26.65 50.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 18.7 pt -104.02 -19.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.3 ptm180 -64.94 -41.16 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -66.01 -28.32 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -74.02 -30.95 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 775' ' ' VAL . 6.4 m-85 -107.62 -5.57 17.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 776' ' ' LYS . 9.4 p -36.04 -46.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.532 ' N ' HG13 ' A' ' 775' ' ' VAL . 27.4 mmtt -74.18 -45.09 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.2 mm-40 -34.21 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -36.83 10.21 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.462 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -59.99 -37.09 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 2.1 t80 -76.01 -48.75 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.61 -22.01 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.82 -37.1 81.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 13.0 mm -89.25 77.31 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -47.55 -38.29 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -77.07 114.82 16.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 pt-20 -60.03 -35.93 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 78.6 p -60.12 -39.06 84.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.635 ' HG3' HD13 ' A' ' 785' ' ' LEU . 23.8 mm-40 -60.09 -39.74 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 29.0 mtt85 -70.09 -35.14 73.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . 0.418 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 11.8 ttmt -68.57 -46.95 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -59.62 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.04 -41.03 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 47.5 t80 -58.81 -44.06 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -61.79 -45.25 94.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.7 t70 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.3 t80 -61.1 -39.48 90.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.4 mtp -65.38 -41.2 94.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.523 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.03 -45.04 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.6 t -66.84 -34.83 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.34 -45.46 94.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.7 pt-20 -66.43 -42.28 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.0 m-70 -71.12 -33.73 70.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . 0.505 ' HG3' HG12 ' A' ' 799' ' ' VAL . 17.9 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 744' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.82 0.343 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 743' ' ' MET . 10.9 ttpt -67.54 -43.77 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.31 91.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.423 ' HB3' HD11 ' A' ' 783' ' ' ILE . 23.4 mttp -65.57 -50.56 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.75 -40.1 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 30.8 t -63.13 -42.46 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.87 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.54 -48.47 72.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -61.93 -42.92 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.3 t -61.82 -40.89 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 32.3 ttp -62.09 -42.55 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 761' ' ' ILE . 62.6 mt -62.3 -41.93 98.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -81.83 -9.27 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -58.03 157.84 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.422 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -147.98 122.02 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.488 0.661 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.2 Cg_endo -69.82 169.2 64.74 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.325 0.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 140.62 43.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.416 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.702 HD12 ' CE1' ' A' ' 796' ' ' PHE . 83.7 mt -42.45 105.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.8 -175.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.14 -30.1 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -108.46 32.67 4.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.57 151.1 22.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.66 139.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -51.0 -53.11 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.474 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.7 mm-40 -65.63 -21.85 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.46 -20.44 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.418 ' HB ' ' NH2' ' A' ' 773' ' ' ARG . 19.3 pt -112.91 -14.69 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 775' ' ' VAL . 4.8 ptm180 -65.13 -40.13 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.8 -22.65 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . 0.418 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 31.9 mtm180 -75.28 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 9.2 m-85 -107.16 -6.68 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.7 t -57.75 -23.22 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -2.87 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.77 154.44 47.95 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.705 0.764 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -36.7 10.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.66 78.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 1.0 OUTLIER -76.13 -44.88 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.99 -23.44 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.88 -18.56 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.492 HG21 ' HG2' ' A' ' 789' ' ' ARG . 36.2 mm -100.85 77.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.76 -36.87 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.679 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.3 OUTLIER -76.97 108.45 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.419 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.9 pt-20 -56.53 -35.06 67.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 99.1 p -59.95 -36.67 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.543 ' HG3' HD13 ' A' ' 785' ' ' LEU . 7.4 mm-40 -61.2 -38.63 87.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.562 ' HD2' ' CE2' ' A' ' 780' ' ' PHE . 20.3 mtt85 -71.69 -35.89 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . 0.447 ' HE2' ' CD1' ' A' ' 767' ' ' TRP . 9.7 ttmt -67.51 -46.17 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.07 -46.91 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.2 -41.3 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 45.1 t80 -59.05 -44.34 91.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -61.27 -45.33 94.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.617 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.1 t70 -65.25 -40.83 94.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.702 ' CE1' HD12 ' A' ' 761' ' ' ILE . 3.4 t80 -60.99 -42.2 97.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.0 mtp -66.24 -38.16 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 6.7 t60 -61.53 -45.06 95.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 795' ' ' ASP . 14.3 t -67.04 -34.87 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.32 -45.28 95.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.2 pt-20 -66.51 -42.25 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 29.7 m-70 -71.04 -33.55 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 803' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 744' ' ' LYS . 10.7 ptp . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 743' ' ' MET . 12.5 ptpt -62.33 -34.14 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -69.56 -42.88 73.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 15.5 mtmt -64.78 -48.09 75.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.03 -43.33 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 58.7 m -61.99 -39.37 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.67 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.719 ' CE1' HD11 ' A' ' 754' ' ' LEU . 40.1 t80 -65.71 -49.42 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 754' ' ' LEU . 15.3 mtmt -61.83 -42.86 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.6 m -61.11 -41.78 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.827 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 41.8 ttp -59.89 -46.54 89.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.719 HD11 ' CE1' ' A' ' 750' ' ' PHE . 12.2 mt -61.25 -36.02 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -66.24 -36.07 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.45 8.03 42.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -71.38 137.78 48.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.47 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -125.38 124.79 25.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.3 Cg_endo -69.82 169.77 61.95 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.3 0.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.45 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.405 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 27.3 mt -47.94 105.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -68.51 -175.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 16.9 mt -81.0 -21.82 39.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.61 21.75 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -80.0 139.79 36.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.417 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 39.2 t -106.39 142.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.494 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.7 t-105 -52.21 -53.06 48.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.8 mt-10 -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.417 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 5.9 t70 -78.56 -22.38 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.478 HD12 ' HE2' ' A' ' 774' ' ' PHE . 15.5 pt -108.6 -20.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.8 ptm180 -63.23 -41.67 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.9 -31.8 71.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 773' ' ' ARG . 4.9 mtp-105 -71.38 -31.11 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 776' ' ' LYS . 11.1 m-85 -104.73 -6.35 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.565 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.0 p -37.71 -27.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 774' ' ' PHE . 14.9 mtpt -95.77 -45.11 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 776' ' ' LYS . 7.9 mm-40 -36.96 152.75 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 782' ' ' ASP . 54.1 Cg_endo -69.78 -34.32 14.75 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.827 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -61.14 -44.92 96.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.581 ' CE2' ' NH1' ' A' ' 789' ' ' ARG . 3.0 t80 -70.45 -44.24 68.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.71 -21.8 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 778' ' ' PRO . 12.5 m-20 -68.93 -29.15 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 22.2 mm -101.47 91.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 8.0 p -63.68 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.576 HD12 ' HG3' ' A' ' 788' ' ' GLU . 87.8 mt -71.84 98.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -51.31 -45.91 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 25.6 p -59.74 -41.73 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 785' ' ' LEU . 77.0 mm-40 -59.78 -36.4 76.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.581 ' NH1' ' CE2' ' A' ' 780' ' ' PHE . 46.5 mtm180 -72.14 -35.92 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -66.62 -47.01 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -63.21 -44.5 95.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.9 -40.88 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 15.8 t80 -62.61 -43.91 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -59.15 -45.36 91.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 799' ' ' VAL . 3.8 t70 -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 3.6 t80 -60.93 -39.33 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 39.7 mtp -64.42 -41.1 96.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.75 -45.09 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 795' ' ' ASP . 23.0 t -66.96 -34.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.28 -45.45 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.55 -42.36 87.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 34.0 m-70 -71.05 -33.57 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -62.33 -43.71 98.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -41.82 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -61.77 -51.01 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.02 -43.65 86.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.3 t -62.1 -36.04 80.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.13 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.604 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 20.3 t80 -64.78 -49.11 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -64.3 -43.66 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -38.3 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.467 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 40.3 ttp -63.88 -46.56 84.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' A' ' 761' ' ' ILE . 15.6 mt -61.8 -38.08 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -36.06 82.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -90.07 11.63 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.96 169.54 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.452 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -155.21 124.3 3.08 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.495 0.664 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.7 Cg_endo -69.73 169.97 60.63 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.784 -1.757 . . . . 0.0 112.314 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.3 Cg_endo -69.84 127.84 15.1 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 754' ' ' LEU . 69.7 mt -34.84 105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -64.82 177.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.1 mt -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.78 31.32 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.38 143.13 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.76 142.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.481 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -52.35 -53.04 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.438 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.5 mt-10 -64.85 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.79 -23.67 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 793' ' ' PHE . 22.5 pt -107.32 -18.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.6 ptm180 -64.89 -44.39 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 10.0 pt-20 -61.44 -27.46 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -74.51 -32.04 62.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -107.33 -2.55 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.527 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.8 p -40.51 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 777' ' ' GLU . 48.9 mttt -91.58 -41.04 11.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 776' ' ' LYS . 5.9 mm-40 -36.17 150.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.6 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.757 2.305 . . . . 0.0 112.28 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -66.83 -31.66 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 2.5 t80 -75.46 -51.16 13.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 3.9 pt-20 -65.12 -22.38 66.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.58 -25.43 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 26.1 mm -102.05 117.38 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.7 p -88.59 -54.7 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.63 HD12 ' CG ' ' A' ' 788' ' ' GLU . 0.6 OUTLIER -52.18 121.66 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -60.3 -40.21 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . 0.455 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 0.7 OUTLIER -66.06 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.63 ' CG ' HD12 ' A' ' 785' ' ' LEU . 15.0 mm-40 -59.97 -42.32 93.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -72.1 -41.24 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -63.92 -46.99 82.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -60.45 -48.15 83.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.7 -41.01 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 38.2 t80 -60.89 -42.63 98.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.0 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.5 t70 -60.38 -41.07 93.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 761' ' ' ILE . 3.1 t80 -63.08 -45.23 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.6 mtp -63.26 -41.36 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.504 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.2 t60 -59.73 -45.36 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 795' ' ' ASP . 98.5 t -65.07 -34.44 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.99 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.0 pt-20 -66.5 -40.06 89.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.482 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.6 m-70 -72.43 -35.62 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 12.2 mtt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.0 -40.14 94.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -66.99 -46.53 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 25.9 mttm -60.4 -47.82 84.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -59.02 -41.55 88.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -61.85 -45.48 93.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.99 72.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.573 ' CD2' HG13 ' A' ' 783' ' ' ILE . 11.5 t80 -62.18 -49.16 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -64.48 -46.65 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.8 t -59.89 -36.98 78.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 12.0 tmm? -65.42 -42.98 91.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.75 HD23 ' CE2' ' A' ' 774' ' ' PHE . 43.8 mt -59.58 -45.14 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -31.65 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -80.86 7.22 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.99 166.24 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.451 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.39 122.69 3.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.73 170.03 60.34 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.344 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 138.69 38.26 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 754' ' ' LEU . 93.9 mt -46.08 105.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.6 -178.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.45 -20.44 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -104.92 24.68 11.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -88.04 141.94 28.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 768' ' ' GLU . 88.7 t -104.64 147.17 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.1 t-105 -51.35 -48.25 62.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.492 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 27.2 mt-10 -68.86 -21.74 64.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.98 -18.03 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.634 HD11 ' CD1' ' A' ' 793' ' ' PHE . 14.9 pt -110.43 -20.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 775' ' ' VAL . 3.0 ptm180 -64.98 -43.65 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.1 tp10 -65.54 -21.64 66.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -74.66 -32.29 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.75 ' CE2' HD23 ' A' ' 754' ' ' LEU . 10.7 m-85 -111.71 -8.21 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.2 t -51.38 -25.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -20.13 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.72 155.42 93.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.385 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.01 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.736 ' CZ ' HG22 ' A' ' 775' ' ' VAL . 1.7 t80 -76.04 -48.85 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -58.89 -21.96 58.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.38 -37.51 77.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.626 HG21 ' HG3' ' A' ' 789' ' ' ARG . 25.4 mm -74.15 97.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 40.9 p -67.05 -48.04 69.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.99 116.68 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.06 -40.45 97.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 32.6 p -59.93 -33.88 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 788' ' ' GLU . 0.1 OUTLIER -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.626 ' HG3' HG21 ' A' ' 783' ' ' ILE . 12.3 mtp180 -68.37 -42.48 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -64.86 -47.04 79.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -65.29 -43.75 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -41.24 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.634 ' CD1' HD11 ' A' ' 770' ' ' ILE . 18.4 t80 -62.26 -45.42 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -57.8 -44.3 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.568 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.4 t0 -62.81 -40.45 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -61.19 -44.09 97.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -62.3 -40.61 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.51 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.0 t60 -59.69 -45.2 92.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 795' ' ' ASP . 20.2 t -67.29 -34.78 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.32 -45.37 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.5 pt-20 -66.75 -42.16 86.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.419 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 26.2 m-70 -70.11 -33.67 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . 0.53 ' HG3' HG12 ' A' ' 799' ' ' VAL . 5.5 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -65.88 -42.85 89.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.09 -44.89 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 783' ' ' ILE . 15.9 mtpp -65.2 -46.55 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -58.95 -44.41 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.5 t -61.93 -44.89 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.507 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 29.8 t80 -65.32 -49.26 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -60.83 -42.31 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 4.9 m -59.71 -45.25 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -59.49 -42.92 93.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.551 HD22 HD11 ' A' ' 761' ' ' ILE . 78.7 mt -59.18 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . 0.499 ' HG2' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -67.49 -32.36 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -80.68 5.91 14.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -80.07 154.81 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.471 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -144.52 122.86 6.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.69 170.04 60.08 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.419 -0.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.56 33.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.551 HD11 HD22 ' A' ' 754' ' ' LEU . 84.8 mt -38.24 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.83 158.49 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.17 27.0 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 157.46 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.97 141.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.585 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.0 t-105 -51.44 -53.03 41.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.33 -22.04 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 772' ' ' GLU . 26.9 t70 -80.16 -21.1 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' A' ' 793' ' ' PHE . 17.6 pt -110.06 -18.64 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.7 ptm180 -64.99 -46.32 81.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 5.3 pm0 -59.3 -24.75 63.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -75.82 -32.46 59.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.3 6.26 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.512 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.9 p -52.62 -15.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.402 ' HD2' HG12 ' A' ' 775' ' ' VAL . 0.0 OUTLIER -102.95 -37.55 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -40.4 154.22 0.2 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -39.08 7.07 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -61.35 -37.26 82.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 28.0 t80 -74.26 -42.66 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -24.26 67.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.21 -42.1 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' A' ' 746' ' ' LYS . 11.2 mm -81.45 101.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.3 p -76.65 -37.72 55.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.559 ' H ' HD12 ' A' ' 785' ' ' LEU . 4.5 mp -71.04 115.78 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.423 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 30.5 tt0 -57.82 -41.47 82.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.9 p -59.92 -36.42 76.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.91 -40.7 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 28.1 mtt85 -71.13 -35.18 71.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -70.18 -46.85 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -47.6 85.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.88 -41.0 87.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.593 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.8 t80 -59.16 -44.72 92.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.4 t0 -65.34 -39.4 92.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 754' ' ' LEU . 3.3 t80 -62.09 -39.95 94.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.593 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.7 mtp -68.59 -39.25 81.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.646 ' NE2' ' CE1' ' A' ' 802' ' ' HIS . 2.0 t60 -59.81 -45.39 92.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 795' ' ' ASP . 13.5 t -73.71 -35.43 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 761' ' ' ILE . 15.4 tp -54.45 -47.45 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 19.1 pt-20 -74.45 -36.57 63.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.646 ' CE1' ' NE2' ' A' ' 798' ' ' HIS . 7.8 m-70 -59.37 -41.93 90.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -69.89 -35.39 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -73.85 -37.6 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 40.7 mttp -67.72 -45.65 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.75 -45.24 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 17.9 t -62.04 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.4 77.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 754' ' ' LEU . 36.7 t80 -65.03 -49.08 71.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.03 -44.39 97.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.4 t -60.58 -38.75 85.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.415 ' HE1' ' HB2' ' A' ' 780' ' ' PHE . 47.4 ttp -62.96 -44.19 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 761' ' ' ILE . 17.6 mt -63.44 -42.61 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -62.57 -35.93 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -90.8 8.44 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.41 156.3 37.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -143.82 124.48 7.84 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.594 0.711 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.68 169.95 60.49 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.327 -0.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.13 27.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.738 HD11 HD22 ' A' ' 754' ' ' LEU . 98.0 mt -49.94 104.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.08 167.56 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.2 -30.18 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -97.54 28.86 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.84 146.69 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.0 t -102.59 140.43 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.573 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.3 t-105 -50.91 -53.29 33.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 79.7 mt-10 -66.89 -23.6 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.452 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 6.5 t70 -77.53 -19.86 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 18.9 pt -113.16 -17.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.636 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.5 ptm180 -63.36 -51.06 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.8 tt0 -54.77 -22.52 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -74.13 -34.07 63.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -109.32 -4.69 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.64 HG22 ' CZ ' ' A' ' 780' ' ' PHE . 2.5 t -56.56 -22.77 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -90.04 -19.65 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.57 153.68 91.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -38.41 7.72 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -56.36 -40.12 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.64 ' CZ ' HG22 ' A' ' 775' ' ' VAL . 0.9 OUTLIER -75.89 -44.14 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.02 -22.08 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.86 -34.33 77.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 46.3 mm -81.86 96.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 71.5 p -67.93 -47.12 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 785' ' ' LEU . 5.2 mp -68.05 118.62 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.93 -39.34 94.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.4 p -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -60.48 -42.02 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 40.3 mtt180 -69.03 -41.55 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -63.27 -46.61 86.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.22 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.27 -41.21 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 41.5 t80 -60.03 -43.4 95.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -61.27 -45.06 96.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.7 t70 -64.17 -41.83 96.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 800' ' ' LEU . 17.5 t80 -61.16 -40.58 94.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.2 mtp -66.07 -40.16 90.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.4 t60 -59.41 -45.72 90.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.5 t -72.73 -35.07 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 796' ' ' PHE . 12.6 tp -54.63 -46.0 73.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 13.9 pt-20 -73.6 -42.08 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.491 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 9.2 m-70 -62.24 -33.93 75.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 51.8 mtm . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -67.99 -42.46 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -72.17 -40.52 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.439 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 2.5 mtmp? -67.59 -44.06 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.88 -45.46 74.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 15.6 t -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.27 86.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 754' ' ' LEU . 37.3 t80 -61.94 -48.92 78.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . 0.417 ' HA ' HD12 ' A' ' 754' ' ' LEU . 6.0 mtmp? -62.64 -47.43 83.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.6 t -61.17 -37.67 83.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.407 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 39.3 ttp -62.63 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.781 HD22 HD11 ' A' ' 761' ' ' ILE . 14.5 mt -63.16 -41.54 99.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -68.15 -28.75 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -82.89 -6.95 59.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.403 ' HB2' ' HE1' ' A' ' 774' ' ' PHE . . . -68.52 166.09 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.443 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -153.66 123.59 3.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.512 0.672 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.76 170.06 60.34 Favored 'Cis proline' 0 C--O 1.231 0.133 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.375 0.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 142.2 47.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.781 HD11 HD22 ' A' ' 754' ' ' LEU . 70.1 mt -47.82 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -64.68 164.3 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.35 -29.0 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -99.29 28.96 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -93.53 146.38 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 770' ' ' ILE . 59.9 t -102.82 143.73 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.0 t-105 -51.14 -53.35 35.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.443 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.9 mt-10 -67.61 -21.93 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.41 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 14.5 t0 -81.86 -16.29 51.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 766' ' ' VAL . 15.9 pt -115.04 -19.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.3 ptm180 -62.33 -44.18 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.6 tt0 -54.63 -24.11 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 30.3 mtp85 -73.11 -33.98 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' A' ' 754' ' ' LEU . 6.6 m-85 -109.1 -4.32 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.3 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -101.72 -8.88 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.93 152.55 68.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -39.13 6.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.407 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -57.36 -44.42 84.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 0.2 OUTLIER -75.73 -35.13 60.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.34 -21.77 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . 0.439 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 9.5 t0 -65.87 -35.85 81.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 11.6 mm -74.9 98.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 18.3 p -64.15 -48.08 77.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.75 118.54 16.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.41 -35.18 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 73.9 p -61.44 -35.62 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -59.97 -40.15 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 29.9 mtm180 -71.59 -38.98 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . 0.515 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 8.4 ttmt -64.44 -46.03 84.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.36 -46.11 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -41.29 88.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.3 t80 -59.43 -45.15 92.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -59.83 -45.38 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 799' ' ' VAL . 11.6 t70 -61.81 -42.92 99.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.0 t80 -60.92 -37.97 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.7 mtp -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.5 t60 -60.24 -45.22 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 795' ' ' ASP . 18.8 t -67.3 -34.7 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.63 -45.32 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.5 pt-20 -66.92 -42.53 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -70.25 -33.58 71.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . 0.461 ' HG2' HG12 ' A' ' 799' ' ' VAL . 4.3 mm-40 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.85 95.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -67.08 -36.65 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -68.36 -47.1 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.23 -48.47 80.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 13.6 t -62.05 -43.83 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.55 74.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.797 ' CE2' HD11 ' A' ' 754' ' ' LEU . 49.7 t80 -66.03 -48.6 70.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' A' ' 754' ' ' LEU . 5.3 mtmp? -60.26 -44.31 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 p -59.84 -44.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.722 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 42.2 ttp -59.37 -44.03 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.797 HD11 ' CE2' ' A' ' 750' ' ' PHE . 22.7 mt -61.26 -35.92 78.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.55 -36.09 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -80.82 -0.77 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.09 153.24 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.461 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -142.39 124.35 8.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.7 169.94 60.61 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 128.96 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 87.0 mt -37.95 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.79 -175.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 61.7 mt -84.41 -18.84 34.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.92 27.72 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.18 143.84 27.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 49.8 t -102.85 140.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -51.09 -53.09 37.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.427 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 43.2 mt-10 -64.85 -24.14 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.64 -24.77 56.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.447 ' O ' ' CD1' ' A' ' 774' ' ' PHE . 18.1 pt -107.63 -17.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.427 ' CD ' ' HA ' ' A' ' 768' ' ' GLU . 4.2 ptm180 -63.95 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.87 -21.95 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -76.08 -30.06 58.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 776' ' ' LYS . 4.5 m-85 -107.39 -7.73 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.537 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 6.7 p -35.44 -33.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 774' ' ' PHE . 18.5 mmmt -96.27 -40.54 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.4 mm-40 -37.23 148.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -38.65 7.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.722 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -59.97 -41.21 91.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 1.1 t80 -72.87 -42.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.21 -24.46 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -35.3 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 789' ' ' ARG . 29.9 mm -87.93 72.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.9 OUTLIER -47.51 -40.12 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -74.66 104.0 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 787' ' ' SER . 8.5 pt-20 -51.88 -34.99 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 80.2 p -59.82 -39.47 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 26.7 mm-40 -59.95 -37.7 80.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.459 ' HG2' HG21 ' A' ' 783' ' ' ILE . 25.9 mtt85 -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -66.22 -45.24 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -63.52 -47.46 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.88 -41.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 55.7 t80 -60.07 -43.4 95.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -61.44 -44.73 96.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.6 t0 -63.69 -42.1 98.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.44 ' CE1' HD13 ' A' ' 800' ' ' LEU . 20.6 t80 -61.59 -40.75 95.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.543 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 38.2 mtp -65.43 -40.76 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.1 t60 -59.43 -45.67 90.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.0 t -72.84 -35.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 796' ' ' PHE . 11.7 tp -54.54 -46.05 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 8.2 pt-20 -73.58 -42.09 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.5 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 8.2 m-70 -59.73 -38.77 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.29 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -68.83 -42.9 76.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -61.03 -46.58 90.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -64.38 -39.22 93.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 47.7 t -63.46 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.24 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.613 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 34.8 t80 -63.48 -48.95 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -65.03 -43.21 93.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.0 m -60.63 -38.05 83.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.686 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 42.2 ttp -66.02 -44.79 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.604 HD11 ' CE1' ' A' ' 750' ' ' PHE . 60.0 mt -59.07 -39.26 81.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.83 10.18 10.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.19 175.85 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.477 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -160.54 124.61 2.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.83 169.54 63.15 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.355 0.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.74 19.89 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.454 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 754' ' ' LEU . 84.3 mt -40.75 105.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -68.53 -175.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.68 -17.17 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -113.68 28.03 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . 0.406 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -84.48 139.95 31.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 82.0 t -105.13 142.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.531 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.6 t-105 -52.35 -52.96 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -65.77 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.95 -23.49 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.502 HD12 HD22 ' A' ' 754' ' ' LEU . 18.9 pt -107.11 -19.2 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -63.53 -39.72 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.0 -31.7 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -72.88 -29.98 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 754' ' ' LEU . 6.3 m-85 -112.26 8.39 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 771' ' ' ARG . 7.8 p -57.64 -11.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -115.91 -26.93 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.433 ' CB ' ' SD ' ' A' ' 753' ' ' MET . 5.7 mm-40 -49.32 153.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -39.23 6.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.686 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.7 -38.04 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.14 -43.54 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -61.83 -25.4 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.02 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.11 113.48 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.8 p -89.03 -56.2 3.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.584 HD12 ' CG ' ' A' ' 788' ' ' GLU . 0.7 OUTLIER -49.98 125.26 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -60.86 -44.96 96.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 72.7 p -61.99 -33.1 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.584 ' CG ' HD12 ' A' ' 785' ' ' LEU . 4.1 mm-40 -60.07 -42.48 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.04 -41.38 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -65.11 -44.88 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -60.95 -46.81 89.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.67 -42.7 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.536 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 39.1 t80 -60.59 -42.8 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -62.12 -43.93 97.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.28 -41.77 97.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 8.5 t80 -61.37 -47.96 83.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.536 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.4 mtp -60.13 -39.58 86.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.2 t60 -59.84 -45.37 92.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.62 -34.44 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.26 -45.46 93.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.1 pt-20 -66.4 -40.03 89.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 42.1 m-70 -72.33 -36.22 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . 0.449 ' HA ' ' NZ ' ' A' ' 746' ' ' LYS . 21.0 ptp . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.851 0.358 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -43.67 98.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -73.6 -31.58 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.449 ' NZ ' ' HA ' ' A' ' 743' ' ' MET . 6.4 mtmp? -67.46 -46.77 72.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.44 -43.06 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.8 p -61.42 -45.95 92.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.95 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 754' ' ' LEU . 34.4 t80 -63.86 -48.68 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -62.2 -47.2 85.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.1 t -59.87 -36.44 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.531 ' SD ' ' CG ' ' A' ' 774' ' ' PHE . 15.3 tmm? -66.81 -39.66 87.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.627 HD22 HD12 ' A' ' 770' ' ' ILE . 33.7 mt -67.25 -44.2 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 756' ' ' GLN . 9.5 pttm -67.2 -36.08 80.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 755' ' ' LYS . 6.5 pt20 -80.94 0.04 37.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.14 154.98 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.447 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -138.55 122.69 11.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.654 0.74 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.73 169.97 60.62 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 127.68 14.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 754' ' ' LEU . 77.2 mt -41.43 105.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.47 -177.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 59.0 mt -78.64 -22.31 47.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -105.66 27.37 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -85.34 145.3 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 28.6 t -108.49 142.94 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.548 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.1 t-105 -51.26 -53.05 39.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 57.4 mt-10 -65.23 -24.47 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -74.75 -25.31 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.627 HD12 HD22 ' A' ' 754' ' ' LEU . 15.7 pt -106.61 -19.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.9 ptm180 -62.91 -35.94 81.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.09 -30.47 70.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -72.78 -31.84 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.531 ' CG ' ' SD ' ' A' ' 753' ' ' MET . 7.6 m-85 -109.04 0.26 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.536 HG13 ' HG2' ' A' ' 776' ' ' LYS . 7.1 p -40.77 -32.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.536 ' HG2' HG13 ' A' ' 775' ' ' VAL . 20.9 mmtt -93.35 -35.07 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 776' ' ' LYS . 57.9 mm-40 -35.79 149.23 0.13 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.3 Cg_endo -69.75 -36.43 10.84 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.82 2.347 . . . . 0.0 112.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.36 71.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.555 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.9 t80 -75.72 -50.99 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 3.7 pt-20 -65.54 -21.84 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.85 -41.1 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 785' ' ' LEU . 12.6 mm -74.85 86.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 17.4 p -54.58 -39.3 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 783' ' ' ILE . 5.5 mp -81.74 121.26 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.94 -39.85 95.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 1.2 m -59.93 -33.36 71.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 16.9 mm-40 -60.88 -39.93 91.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.555 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 36.6 mtm180 -71.58 -40.87 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -62.71 -45.8 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -62.13 -47.89 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.09 -40.98 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 57.0 t80 -59.2 -43.3 92.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -62.56 -45.34 93.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.1 t0 -66.44 -39.21 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -62.15 -43.11 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.573 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 42.5 mtp -65.65 -39.12 91.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.5 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.3 t60 -60.31 -45.07 94.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 795' ' ' ASP . 5.3 t -66.97 -34.82 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.22 -45.21 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.84 -42.27 86.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 27.7 m-70 -70.77 -33.62 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -65.43 -44.73 86.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -67.25 -45.73 75.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.2 -47.1 87.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.03 -40.4 96.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 20.4 m -62.01 -45.83 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.65 81.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.77 ' CE1' HD11 ' A' ' 754' ' ' LEU . 40.3 t80 -62.18 -49.27 76.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -60.15 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.3 m -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.693 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 39.2 ttp -60.05 -41.43 92.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.77 HD11 ' CE1' ' A' ' 750' ' ' PHE . 18.0 mt -67.45 -37.5 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -63.52 -36.09 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -86.94 5.43 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.0 147.05 47.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.447 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -135.06 124.51 16.51 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.78 169.43 63.46 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.381 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 136.53 33.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 754' ' ' LEU . 79.3 mt -45.21 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.55 -175.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 30.7 mt -84.68 -33.94 23.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.85 36.24 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.72 149.79 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.5 t -103.34 136.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.3 t-105 -54.03 -51.19 64.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.443 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.2 mt-10 -66.16 -21.91 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.447 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 10.9 t70 -82.15 -21.2 36.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.411 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 19.5 pt -107.81 -19.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.465 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.1 ptm180 -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 775' ' ' VAL . 15.8 pt-20 -53.73 -19.57 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 758' ' ' ALA . 73.5 mtp180 -81.27 -26.83 35.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 8.1 m-85 -111.45 -8.25 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.2 m -37.46 -43.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 777' ' ' GLU . 3.1 mmmm -78.5 -44.59 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 776' ' ' LYS . 78.6 mm-40 -34.46 151.11 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -38.97 6.94 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.282 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.693 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.16 -36.09 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 4.8 t80 -75.48 -46.75 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.44 -24.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.87 -41.29 91.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.455 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 11.1 mm -80.37 103.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 16.5 p -75.27 -43.45 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.518 ' H ' HD12 ' A' ' 785' ' ' LEU . 5.1 mp -70.89 119.95 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.436 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.5 pt-20 -61.22 -39.02 88.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.4 p -59.87 -34.61 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.6 -42.17 98.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 767' ' ' TRP . 32.6 mtt85 -69.03 -36.13 77.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -70.14 -46.89 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.99 -44.5 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.86 -44.03 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 41.0 t80 -58.66 -45.47 89.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.28 -44.15 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.2 t70 -61.96 -43.08 99.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -60.77 -40.05 91.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.545 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.3 mtp -64.07 -41.36 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 8.1 t60 -59.92 -45.47 92.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 795' ' ' ASP . 38.7 t -66.8 -34.85 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.4 -45.28 94.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.4 pt-20 -67.11 -41.54 86.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.433 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 26.7 m-70 -70.87 -33.43 70.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.849 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 4.1 ptp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -62.07 -41.53 98.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.84 -39.24 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.441 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 20.6 mttm -68.23 -49.6 59.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.61 -43.36 97.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.7 t -61.92 -45.98 91.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 754' ' ' LEU . 37.5 t80 -61.27 -49.01 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -63.69 -44.86 92.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 34.5 t -59.78 -41.77 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 14.5 tmm? -62.81 -40.85 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 750' ' ' PHE . 50.9 mt -63.33 -36.88 85.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -69.06 -35.95 77.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -86.76 12.06 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.16 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -132.2 124.38 19.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.76 170.36 58.87 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.62 -1.825 . . . . 0.0 112.381 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.99 36.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.28 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 43.2 mt -55.18 105.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -70.68 -179.36 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -77.24 -29.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -99.85 32.61 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -96.3 139.25 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.508 HG12 ' OE2' ' A' ' 768' ' ' GLU . 24.1 t -98.45 144.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 12.2 t-105 -54.55 -45.41 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.508 ' OE2' HG12 ' A' ' 766' ' ' VAL . 1.6 mp0 -67.16 -21.85 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.97 -35.43 50.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 16.2 pt -100.07 -15.26 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 775' ' ' VAL . 1.2 ttt-85 -65.01 -52.74 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.81 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.44 ' HA ' ' CG2' ' A' ' 775' ' ' VAL . 8.8 tp10 -54.65 -35.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -62.06 -33.93 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 10.9 m-85 -105.18 -8.57 18.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.499 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 1.9 t -47.91 -26.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -93.9 -20.48 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 774' ' ' PHE . 75.2 mm-40 -64.63 149.38 95.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . 0.416 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.8 Cg_endo -69.75 -38.31 8.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.72 71.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 4.5 t80 -76.17 -51.26 12.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 1.8 pt-20 -63.91 -21.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . 0.441 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 10.2 t0 -65.24 -10.15 29.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.647 HG21 ' HG2' ' A' ' 789' ' ' ARG . 18.5 mm -97.71 91.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.2 p -58.54 -46.27 87.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.43 ' O ' HG22 ' A' ' 783' ' ' ILE . 5.6 mp -80.11 115.56 19.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -59.04 -35.41 73.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.5 p -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 792' ' ' ILE . 31.8 mt-10 -60.82 -40.51 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.647 ' HG2' HG21 ' A' ' 783' ' ' ILE . 17.0 mtm180 -70.64 -38.04 73.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.71 -46.14 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -64.96 -46.16 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 788' ' ' GLU . 63.6 mt -60.96 -40.83 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.597 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.6 t80 -61.1 -45.34 95.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -59.8 -45.14 93.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.71 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.2 t0 -62.46 -41.05 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 10.9 t80 -61.97 -40.19 94.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.597 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 30.8 mtp -65.94 -41.47 91.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.1 t60 -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 795' ' ' ASP . 9.6 t -67.02 -34.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.25 -45.47 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.6 pt-20 -66.42 -42.2 88.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.5 m-70 -71.18 -33.68 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 22.1 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -67.35 -41.3 85.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -71.46 -48.64 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 23.4 mttm -62.93 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.99 -46.86 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 21.6 m -61.76 -41.47 97.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.751 ' CE1' HD11 ' A' ' 754' ' ' LEU . 50.8 t80 -64.95 -49.13 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 754' ' ' LEU . 33.2 mtmt -60.01 -45.11 93.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 t -61.37 -40.68 95.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.39 -41.5 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.751 HD11 ' CE1' ' A' ' 750' ' ' PHE . 17.2 mt -65.4 -38.58 90.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.28 -36.13 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.51 4.35 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 149.33 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.182 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.458 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -136.86 123.23 13.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.72 170.07 60.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.307 0.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.79 38.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.215 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 754' ' ' LEU . 72.5 mt -49.03 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.49 -174.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.6 mt -84.25 -28.64 27.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.73 35.66 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -99.19 140.04 33.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 96.6 t -101.74 150.3 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.582 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.31 -53.17 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.462 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.4 mt-10 -65.38 -21.98 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.429 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.1 m-20 -78.84 -26.94 44.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.495 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 17.5 pt -103.54 -20.17 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.533 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 6.4 ptm180 -63.68 -50.88 67.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.782 ' O ' HG22 ' A' ' 775' ' ' VAL . 8.1 tp10 -53.76 -19.53 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . 0.44 ' NH2' ' HD2' ' A' ' 759' ' ' PRO . 27.9 mtp180 -81.39 -26.94 35.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 777' ' ' GLU . 10.3 m-85 -111.13 -8.16 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.3 m -38.01 -38.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -83.53 -33.59 25.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 774' ' ' PHE . 6.7 mm-40 -48.36 149.6 2.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.76 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -38.98 6.9 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.26 76.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.599 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 t80 -75.79 -46.08 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.12 -21.9 66.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.88 -27.76 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 14.9 mm -96.1 88.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.8 p -57.31 -32.89 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.495 ' CB ' ' HG2' ' A' ' 788' ' ' GLU . 6.1 mt -78.87 107.85 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 72.4 p -62.52 -36.8 83.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.495 ' HG2' ' CB ' ' A' ' 785' ' ' LEU . 56.2 mm-40 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.599 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 39.9 mtm180 -67.7 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -61.36 -46.48 90.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -65.12 -44.83 87.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.81 -40.97 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 13.5 t80 -62.61 -43.94 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -57.94 -45.48 86.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 799' ' ' VAL . 4.2 t0 -61.56 -40.41 94.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.1 t80 -60.82 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.8 mtp -64.35 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.01 -45.2 93.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 795' ' ' ASP . 23.1 t -67.27 -34.68 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -60.5 -45.27 94.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 27.5 m-70 -70.44 -33.61 71.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.867 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 44.3 mtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -67.42 -39.71 85.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.14 -41.93 85.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -65.88 -46.42 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.662 ' CE1' HD11 ' A' ' 754' ' ' LEU . 41.4 t80 -62.75 -48.73 77.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.12 -45.52 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 9.7 t -60.0 -39.13 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.47 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 37.1 ttp -62.84 -43.97 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.662 HD11 ' CE1' ' A' ' 750' ' ' PHE . 24.8 mt -60.33 -41.57 93.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -68.96 -28.77 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -83.99 1.49 43.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.535 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -75.05 172.37 12.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.454 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -157.83 124.73 2.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.8 169.75 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.618 -1.826 . . . . 0.0 112.346 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 761' ' ' ILE . 54.2 Cg_endo -69.76 130.52 19.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 754' ' ' LEU . 85.6 mt -35.09 105.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.14 -176.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.65 -21.42 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.19 28.4 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 141.03 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 39.6 t -95.11 142.29 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -50.98 -53.13 35.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 83.9 mt-10 -65.29 -22.0 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.6 m-20 -79.26 -22.14 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.488 HD11 ' CD1' ' A' ' 793' ' ' PHE . 21.5 pt -111.21 -15.07 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 775' ' ' VAL . 4.9 ptm180 -65.19 -46.36 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 2.6 pp20? -54.59 -22.42 13.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . 0.416 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 32.7 mtm180 -72.97 -33.0 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 6.0 m-85 -111.31 -5.34 14.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.6 t -55.32 -17.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -100.07 -21.89 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.98 153.42 95.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -37.62 8.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.47 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -55.84 -40.13 72.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.3 t80 -76.01 -46.8 27.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.84 -22.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -28.61 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 10.8 mm -87.03 99.19 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -72.56 -38.07 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.796 HD13 ' HG3' ' A' ' 788' ' ' GLU . 0.2 OUTLIER -78.78 109.95 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.09 -35.83 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.1 p -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.796 ' HG3' HD13 ' A' ' 785' ' ' LEU . 36.1 mm-40 -60.29 -44.91 94.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 43.2 mtm180 -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -69.04 -46.46 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -63.42 -44.56 94.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.92 -44.37 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 33.8 t80 -58.73 -45.13 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -58.18 -45.07 88.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 799' ' ' VAL . 4.5 t70 -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.2 t80 -63.76 -39.56 94.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.3 mtp -66.39 -41.46 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.606 ' NE2' ' CE1' ' A' ' 802' ' ' HIS . 3.8 t60 -59.83 -45.35 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.0 t -73.0 -35.17 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 796' ' ' PHE . 13.7 tp -55.01 -46.68 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 21.9 pt-20 -74.1 -37.88 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.606 ' CE1' ' NE2' ' A' ' 798' ' ' HIS . 7.6 m-70 -59.18 -41.59 88.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 25.3 ttp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -69.16 -43.99 73.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.32 -42.08 84.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -61.06 -50.23 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . 0.413 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -60.97 -42.23 97.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.1 m -61.91 -44.3 97.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.65 ' CE1' HD11 ' A' ' 754' ' ' LEU . 33.4 t80 -65.34 -49.17 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 754' ' ' LEU . 29.1 mttm -62.23 -38.21 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -66.02 -40.98 91.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . 0.48 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 35.6 ttp -61.75 -43.27 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.65 HD11 ' CE1' ' A' ' 750' ' ' PHE . 11.9 mt -65.23 -40.98 94.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -62.0 -35.41 78.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.7 8.96 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.31 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.442 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.76 123.9 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.196 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.0 Cg_endo -69.75 169.83 61.42 Favored 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.765 -1.765 . . . . 0.0 112.345 0.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.0 Cg_endo -69.84 126.64 13.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.613 2.208 . . . . 0.0 112.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . 0.439 HD11 HD22 ' A' ' 754' ' ' LEU . 56.8 mt -34.25 105.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.25 -177.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.61 -35.43 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.06 28.36 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -83.67 140.71 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.08 141.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.1 t-105 -51.64 -52.46 47.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.445 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 26.9 mp0 -66.7 -23.04 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.5 -23.99 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 19.8 pt -107.3 -20.02 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.2 ptm180 -63.59 -45.29 91.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . 0.784 ' O ' HG22 ' A' ' 775' ' ' VAL . 6.3 tp10 -53.8 -20.15 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -81.12 -26.8 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . 0.485 ' CE2' HD23 ' A' ' 754' ' ' LEU . 11.4 m-85 -111.76 -7.74 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.0 OUTLIER -37.44 -30.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 774' ' ' PHE . 27.1 mtmm -96.09 -41.81 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 776' ' ' LYS . 64.0 mm-40 -37.24 151.14 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -39.13 7.03 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.48 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.89 -38.54 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 0.6 OUTLIER -75.21 -41.44 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.78 -23.4 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.96 -39.71 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.46 ' O ' ' NE ' ' A' ' 789' ' ' ARG . 24.4 mm -81.77 107.47 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 3.0 p -79.78 -56.36 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 785' ' ' LEU . 0.3 OUTLIER -55.96 123.25 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.19 -39.62 90.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 59.6 p -65.13 -32.99 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.573 ' HG3' HD12 ' A' ' 785' ' ' LEU . 13.9 mt-10 -59.82 -41.9 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 64.4 mtt180 -72.18 -41.88 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -64.01 -46.23 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -60.77 -48.4 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.84 -41.87 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 35.0 t80 -60.72 -45.41 94.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -58.04 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.602 ' O ' HG23 ' A' ' 799' ' ' VAL . 2.9 t70 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.02 -39.36 89.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 36.0 mtp -65.02 -41.13 95.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.1 t60 -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 795' ' ' ASP . 8.9 t -66.79 -34.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.55 -45.33 94.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -66.53 -42.28 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.6 m-70 -71.4 -33.49 69.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 23.4 ttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -67.69 -41.99 82.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -68.42 -37.86 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -68.66 -47.55 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -64.3 -41.63 96.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 44.0 t -62.44 -42.22 99.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.21 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 754' ' ' LEU . 41.8 t80 -62.64 -48.18 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -62.12 -46.2 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 752' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 755' ' ' LYS . 15.2 m -59.88 -43.83 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -59.84 -39.48 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 754' ' ' LEU . . . . . 0.677 HD11 ' CE1' ' A' ' 750' ' ' PHE . 72.9 mt -64.58 -40.37 95.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 752' ' ' SER . 7.5 pttp -76.32 -21.55 56.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -79.85 -9.93 59.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.17 165.98 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 758' ' ' ALA . . . . . 0.437 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -148.49 122.29 4.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 759' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.4 Cg_endo -69.68 170.04 60.05 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.388 -0.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 135.62 30.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 51.1 mt -38.24 105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.64 -175.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.96 -13.79 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.16 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.55 139.1 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 62.6 t -101.81 142.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -51.13 -52.31 45.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' GLU . . . . . 0.447 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 12.6 mt-10 -64.46 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -25.72 49.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' ILE . . . . . 0.673 HD12 HD22 ' A' ' 754' ' ' LEU . 26.6 pt -105.32 -19.02 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.4 ptm180 -64.94 -38.78 92.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.93 -27.34 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' ARG . . . . . 0.407 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 38.1 mtp180 -74.82 -32.39 61.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.11 0.02 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' VAL . . . . . 0.479 HG13 ' HG2' ' A' ' 776' ' ' LYS . 8.6 p -40.93 -33.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' LYS . . . . . 0.479 ' HG2' HG13 ' A' ' 775' ' ' VAL . 16.6 mmtt -90.63 -37.97 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 53.1 mm-40 -37.47 152.25 0.13 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.644 0.735 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -60.33 -36.81 78.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' PHE . . . . . 0.598 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 5.0 t80 -74.7 -47.18 32.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.49 -24.11 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.84 -40.77 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 783' ' ' ILE . . . . . 0.478 ' CG2' ' HG2' ' A' ' 789' ' ' ARG . 27.9 mm -83.43 111.72 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 6.6 p -85.17 -55.99 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 785' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 785' ' ' LEU . 0.5 OUTLIER -55.1 126.32 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -62.16 -45.88 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 88.0 p -60.73 -32.8 72.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 788' ' ' GLU . . . . . 0.5 ' CG ' HD12 ' A' ' 785' ' ' LEU . 39.9 mm-40 -59.76 -43.43 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 789' ' ' ARG . . . . . 0.598 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 60.4 mtt180 -72.03 -35.77 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 790' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 790' ' ' LYS . 0.9 OUTLIER -69.99 -40.3 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.0 -49.04 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.98 -41.04 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.186 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' PHE . . . . . 0.601 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.6 t80 -60.24 -45.27 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -59.78 -45.23 92.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' ASP . . . . . 0.731 ' O ' HG23 ' A' ' 799' ' ' VAL . 2.5 t70 -65.2 -38.09 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 9.0 t80 -62.49 -45.76 91.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' MET . . . . . 0.601 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.0 mtp -63.33 -39.5 94.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' HIS . . . . . 0.486 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.3 t60 -60.39 -44.99 95.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.1 t -66.78 -34.89 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.33 -45.3 95.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.0 pt-20 -66.54 -41.8 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' HIS . . . . . 0.434 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.7 m-70 -71.51 -33.57 69.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 34.1 p -94.23 -58.6 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 3.7 t -147.43 115.03 6.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -171.34 121.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 6.4 t -63.42 156.65 25.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 110.95 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 96.7 p -143.93 154.77 43.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.789 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 144.52 -116.19 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.0 ttm -67.4 -42.12 83.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.911 0.386 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -41.91 98.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -66.96 -41.15 87.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 p -61.92 -45.83 91.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.76 81.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' A' ' 754' ' ' LEU . 42.9 t80 -62.52 -48.46 79.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -59.56 -46.38 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.0 t -61.86 -36.9 82.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.439 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 44.0 ttp -63.21 -40.81 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 750' ' ' PHE . 20.4 mt -66.66 -38.51 87.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -65.88 -36.02 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -86.81 11.81 12.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -78.7 164.67 24.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.462 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -149.04 124.05 4.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.478 0.656 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.71 169.93 60.72 Favored 'Cis proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.708 -1.789 . . . . 0.0 112.351 -0.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.6 Cg_endo -69.79 127.63 14.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.669 HD11 ' HB3' ' A' ' 754' ' ' LEU . 32.0 mt -34.25 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -66.52 -178.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.61 -32.43 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.03 37.42 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.72 150.56 20.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 98.0 t -107.54 140.44 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.578 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -50.83 -53.23 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 20.8 mt-10 -66.16 -22.89 66.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.406 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 24.7 t70 -79.22 -19.77 49.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 793' ' ' PHE . 16.0 pt -112.8 -16.51 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.667 ' O ' HG23 ' A' ' 775' ' ' VAL . 6.2 ptm180 -65.09 -49.62 69.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.825 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.497 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 7.0 tt0 -54.76 -25.33 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -72.28 -33.65 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 14.9 m-85 -107.99 -5.5 17.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.7 t -58.26 -25.5 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -88.49 -8.53 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -85.69 154.02 58.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -37.37 9.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.439 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -56.86 -40.68 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.639 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.5 t80 -75.33 -46.0 36.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.93 -22.94 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -65.91 -33.92 76.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.436 HG21 ' CG ' ' A' ' 789' ' ' ARG . 8.9 mm -78.52 101.81 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 54.7 p -70.03 -45.5 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 118.29 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -61.57 -39.12 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 83.5 p -60.27 -34.49 73.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.94 -41.63 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.639 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.3 mtm180 -71.97 -35.38 69.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -68.25 -47.02 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 791' ' ' ARG . 3.0 tmt_? -62.95 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.21 -41.74 90.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 770' ' ' ILE . 26.6 t80 -60.57 -45.39 94.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.45 -44.89 89.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.3 t70 -61.43 -42.57 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.3 t80 -61.12 -38.13 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.575 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.0 mtp -65.79 -41.43 91.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.498 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.2 t60 -60.57 -45.01 95.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 795' ' ' ASP . 10.9 t -66.82 -34.93 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.49 -45.3 94.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.4 pt-20 -66.5 -42.19 87.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.0 m-70 -71.27 -33.61 69.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . 0.574 ' HG2' HG12 ' A' ' 799' ' ' VAL . 26.9 mm-40 -71.87 -38.89 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.04 -62.04 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -80.89 139.23 36.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -61.43 121.68 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 94.5 p -133.15 -43.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -131.33 84.75 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 31.4 t -110.25 -46.9 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 812' ' ' GLY . 26.4 m -49.2 160.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.885 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 811' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 78.0 p -168.4 136.18 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 5.2 t -174.88 142.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 132.65 73.39 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 18.7 m -83.54 89.47 7.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 70.6 m -98.2 -48.91 4.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 132.52 -40.59 1.6 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 5.7 mmt -62.21 -32.64 73.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -67.17 -39.1 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 745' ' ' ARG . 7.5 mtp-105 -66.43 -46.13 77.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -64.51 -45.72 86.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -62.26 -43.29 99.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.8 t -62.11 -41.34 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.51 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 754' ' ' LEU . 44.3 t80 -64.35 -48.95 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -61.29 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 25.2 t -60.29 -40.83 91.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.414 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 33.1 ttp -63.04 -41.38 99.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.71 ' HB3' HD11 ' A' ' 761' ' ' ILE . 58.6 mt -61.98 -40.87 97.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -66.83 -35.83 80.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -83.85 9.33 12.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -77.94 168.97 19.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.446 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -156.78 123.9 2.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.51 0.671 . . . . 0.0 111.16 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.79 169.99 60.79 Favored 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.36 -0.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 140.78 43.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.71 HD11 ' HB3' ' A' ' 754' ' ' LEU . 75.7 mt -45.99 105.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.68 -175.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.9 mt -85.61 -27.23 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -110.25 35.89 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.34 143.43 26.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 82.8 t -98.36 142.09 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.568 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 6.3 t-105 -52.22 -53.06 48.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.466 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 32.0 mt-10 -64.55 -21.83 66.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.433 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 80.5 m-20 -78.53 -25.32 45.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.592 HD11 ' CD1' ' A' ' 793' ' ' PHE . 18.0 pt -107.5 -16.39 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.6 ptm180 -64.94 -50.87 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.9 pt-20 -54.66 -24.62 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -70.12 -31.42 68.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.485 ' CE2' HD23 ' A' ' 754' ' ' LEU . 14.0 m-85 -110.87 -8.25 14.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.5 t -52.4 -27.17 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -88.96 -16.38 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -77.93 153.41 80.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -37.61 9.04 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.425 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.414 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -55.92 -40.09 72.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.627 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 2.0 t80 -76.2 -48.03 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.95 -22.59 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.08 -30.92 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.787 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.423 HG21 ' HG3' ' A' ' 789' ' ' ARG . 21.2 mm -82.81 101.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 34.2 p -72.2 -40.39 67.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.1 116.02 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -60.84 -35.54 76.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 77.7 p -62.16 -32.82 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -63.31 -41.7 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.627 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 42.2 mtm180 -70.75 -35.25 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . 0.415 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 6.4 ttmt -67.88 -46.93 70.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -63.27 -45.07 93.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.13 -42.43 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.8 t80 -60.21 -43.57 95.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -60.99 -45.31 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 799' ' ' VAL . 7.0 t0 -62.12 -43.05 99.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.698 ' CE1' HD12 ' A' ' 761' ' ' ILE . 2.4 t80 -60.88 -37.91 83.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -67.45 -38.09 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.486 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.4 t60 -62.09 -45.23 94.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.2 t -67.1 -34.95 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.2 -45.4 94.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.4 pt-20 -66.42 -42.23 88.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.421 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.6 m-70 -71.05 -33.61 70.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . 0.46 ' HG2' HG12 ' A' ' 799' ' ' VAL . 8.3 mm-40 -75.9 -31.0 58.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 7.9 t -133.33 72.94 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.31 149.75 37.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 49.23 53.31 12.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 37.7 t -102.89 85.01 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 89.3 85.56 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 810' ' ' SER . 53.8 Cg_endo -69.79 1.82 4.11 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.63 2.22 . . . . 0.0 112.305 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 809' ' ' PRO . 1.5 m -35.86 122.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 55.1 m -62.81 -176.53 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 19.7 m -63.24 -42.62 99.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.366 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 29.0 t -87.19 118.27 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 178.64 152.86 10.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 86.4 p -63.18 168.02 4.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 55.5 m -70.15 115.25 9.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -152.33 -147.92 4.72 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 14.5 ttt -66.75 -30.05 70.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -68.34 -40.55 81.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -68.98 -47.57 65.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.84 -49.68 75.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -57.97 -40.58 80.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 48.5 t -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -34.18 77.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 754' ' ' LEU . 43.0 t80 -65.14 -48.74 72.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -62.04 -42.11 98.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -60.77 -39.58 89.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 52.6 ttp -64.49 -44.16 91.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 750' ' ' PHE . 65.5 mt -58.76 -42.29 88.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -68.27 -36.05 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.71 11.21 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.49 165.78 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.452 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.23 123.85 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.5 Cg_endo -69.69 169.88 60.9 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.34 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 127.24 14.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.408 HG23 ' HB3' ' A' ' 765' ' ' ALA . 94.9 mt -37.21 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -63.71 -178.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.2 mt -78.55 -23.57 46.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.08 28.68 7.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . 0.408 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -85.17 141.84 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 69.7 t -104.75 146.6 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.38 -53.04 62.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.436 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 18.8 mt-10 -63.06 -22.13 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -78.26 -31.25 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 754' ' ' LEU . 22.4 pt -98.13 -19.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -64.73 -35.97 82.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -66.81 -25.53 66.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -76.99 -29.96 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.92 -2.47 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 771' ' ' ARG . 6.7 p -40.47 -36.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 777' ' ' GLU . 15.8 mtpt -89.47 -40.8 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 776' ' ' LYS . 59.6 mm-40 -35.19 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.658 0.742 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -38.81 7.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.405 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.472 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -58.8 -38.83 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -75.8 -41.46 52.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -64.58 -23.18 67.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.63 -37.35 76.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 6.4 mm -85.22 82.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -55.95 -37.34 68.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -79.1 116.34 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.42 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 0.1 OUTLIER -61.04 -35.02 75.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 92.9 p -59.94 -38.05 81.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.471 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 12.8 mt-10 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.521 ' HB3' ' CH2' ' A' ' 767' ' ' TRP . 25.1 mtt85 -69.04 -36.23 77.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . 0.429 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 7.1 ttmt -67.28 -46.67 72.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -62.27 -46.45 88.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.98 -41.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.581 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 53.5 t80 -60.27 -43.94 95.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -60.49 -45.18 94.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.5 t0 -63.74 -41.31 98.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 2.9 t80 -61.15 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.581 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.5 mtp -65.37 -39.83 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.0 t60 -60.3 -44.94 94.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.824 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.1 t -66.96 -34.87 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.25 -45.44 94.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.1 pt-20 -66.42 -42.53 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.405 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 29.9 m-70 -70.94 -33.62 70.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . 0.591 ' HG3' HG12 ' A' ' 799' ' ' VAL . 7.4 mt-10 -70.03 -38.04 75.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 17.7 p -81.96 -28.43 32.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -63.64 -48.68 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -141.78 124.91 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 2.3 t -60.14 115.71 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 163.01 167.84 24.04 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.3 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 4.4 m -151.16 123.81 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.4 m -139.47 143.56 37.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 17.6 m -54.37 101.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.912 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 13.9 t -152.16 105.48 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.908 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.44 136.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 92.5 p -82.37 -35.57 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 72.2 p -100.64 170.1 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -127.94 -172.66 13.27 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -63.67 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -70.56 -45.17 65.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -70.14 -41.32 74.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.453 ' HB3' HD11 ' A' ' 783' ' ' ILE . 44.6 mttm -65.93 -48.43 71.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.43 -43.48 88.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 28.8 p -62.17 -46.27 89.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.55 -33.31 75.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 754' ' ' LEU . 40.7 t80 -64.01 -48.97 74.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -61.95 -40.63 96.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.3 m -61.36 -42.63 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.462 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 57.0 ttp -61.9 -44.17 97.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.635 HD11 ' CE2' ' A' ' 750' ' ' PHE . 33.0 mt -61.41 -36.02 79.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.53 -27.26 58.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -91.22 -7.92 49.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -61.78 143.52 56.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.473 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.74 124.67 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.8 Cg_endo -69.76 169.94 60.93 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.622 -1.824 . . . . 0.0 112.389 -0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.04 32.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.471 HD11 HD22 ' A' ' 754' ' ' LEU . 64.3 mt -44.8 105.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.058 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.81 -175.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 38.1 mt -85.97 -16.85 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -112.26 28.93 8.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.78 141.59 28.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.28 144.07 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.574 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.4 t-105 -53.79 -53.04 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 13.1 mt-10 -64.0 -22.87 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.65 -26.65 50.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 18.7 pt -104.02 -19.34 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.3 ptm180 -64.94 -41.16 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -66.01 -28.32 68.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -74.02 -30.95 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' A' ' 775' ' ' VAL . 6.4 m-85 -107.62 -5.57 17.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 776' ' ' LYS . 9.4 p -36.04 -46.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.07 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.532 ' N ' HG13 ' A' ' 775' ' ' VAL . 27.4 mmtt -74.18 -45.09 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.2 mm-40 -34.21 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -36.83 10.21 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.462 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -59.99 -37.09 78.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 2.1 t80 -76.01 -48.75 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -62.61 -22.01 66.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.82 -37.1 81.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 788' ' ' GLU . 13.0 mm -89.25 77.31 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.076 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -47.55 -38.29 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -77.07 114.82 16.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.98 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 pt-20 -60.03 -35.93 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 78.6 p -60.12 -39.06 84.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.635 ' HG3' HD13 ' A' ' 785' ' ' LEU . 23.8 mm-40 -60.09 -39.74 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 29.0 mtt85 -70.09 -35.14 73.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . 0.418 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 11.8 ttmt -68.57 -46.95 68.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -59.62 -49.01 79.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.04 -41.03 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 47.5 t80 -58.81 -44.06 90.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -61.79 -45.25 94.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.7 t70 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.3 t80 -61.1 -39.48 90.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.4 mtp -65.38 -41.2 94.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.523 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.03 -45.04 94.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.6 t -66.84 -34.83 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.34 -45.46 94.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.7 pt-20 -66.43 -42.28 87.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.0 m-70 -71.12 -33.73 70.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . 0.505 ' HG3' HG12 ' A' ' 799' ' ' VAL . 17.9 mm-40 -76.47 -42.23 44.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 6.1 t -54.18 -50.97 65.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 806' ' ' HIS . 74.1 mt-30 -64.28 177.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.513 ' CD2' ' H ' ' A' ' 806' ' ' HIS . 24.4 m-70 -37.69 135.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 77.7 p -62.6 135.15 57.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 154.68 83.26 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 145.28 57.11 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 26.7 t -159.56 114.28 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 62.4 p -109.78 -55.75 2.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 69.5 p -58.01 -44.09 87.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.943 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 39.9 m -50.66 113.92 1.02 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -37.6 141.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.538 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 1.4 t -98.92 43.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 4.8 t -128.89 120.73 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 178.24 125.91 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 744' ' ' LYS . 0.0 OUTLIER -63.99 -31.16 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.838 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . 0.453 ' N ' ' HG2' ' A' ' 743' ' ' MET . 10.9 ttpt -67.54 -43.77 79.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -40.31 91.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.423 ' HB3' HD11 ' A' ' 783' ' ' ILE . 23.4 mttp -65.57 -50.56 64.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.75 -40.1 78.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 30.8 t -63.13 -42.46 99.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.87 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.54 -48.47 72.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -61.93 -42.92 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 17.3 t -61.82 -40.89 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 32.3 ttp -62.09 -42.55 99.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 761' ' ' ILE . 62.6 mt -62.3 -41.93 98.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -81.83 -9.27 59.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -58.03 157.84 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.422 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -147.98 122.02 4.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.488 0.661 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.422 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.2 Cg_endo -69.82 169.2 64.74 Favored 'Cis proline' 0 C--O 1.232 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.325 0.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 140.62 43.16 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.416 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.702 HD12 ' CE1' ' A' ' 796' ' ' PHE . 83.7 mt -42.45 105.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.8 -175.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.14 -30.1 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -108.46 32.67 4.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -89.57 151.1 22.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.66 139.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -51.0 -53.11 36.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.474 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.7 mm-40 -65.63 -21.85 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.46 -20.44 43.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.418 ' HB ' ' NH2' ' A' ' 773' ' ' ARG . 19.3 pt -112.91 -14.69 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 775' ' ' VAL . 4.8 ptm180 -65.13 -40.13 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.8 -22.65 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . 0.418 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 31.9 mtm180 -75.28 -34.25 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 9.2 m-85 -107.16 -6.68 17.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.7 t -57.75 -23.22 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -2.87 47.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -89.77 154.44 47.95 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 121.705 0.764 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -36.7 10.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.671 2.247 . . . . 0.0 112.402 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -57.82 -39.66 78.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 1.0 OUTLIER -76.13 -44.88 36.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.777 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -58.99 -23.44 61.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.88 -18.56 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.492 HG21 ' HG2' ' A' ' 789' ' ' ARG . 36.2 mm -100.85 77.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.76 -36.87 62.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.679 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.3 OUTLIER -76.97 108.45 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.9 pt-20 -56.53 -35.06 67.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 99.1 p -59.95 -36.67 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.543 ' HG3' HD13 ' A' ' 785' ' ' LEU . 7.4 mm-40 -61.2 -38.63 87.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.562 ' HD2' ' CE2' ' A' ' 780' ' ' PHE . 20.3 mtt85 -71.69 -35.89 70.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . 0.447 ' HE2' ' CD1' ' A' ' 767' ' ' TRP . 9.7 ttmt -67.51 -46.17 73.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.07 -46.91 87.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.2 -41.3 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 45.1 t80 -59.05 -44.34 91.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -61.27 -45.33 94.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.617 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.1 t70 -65.25 -40.83 94.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.702 ' CE1' HD12 ' A' ' 761' ' ' ILE . 3.4 t80 -60.99 -42.2 97.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.0 mtp -66.24 -38.16 87.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 6.7 t60 -61.53 -45.06 95.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 795' ' ' ASP . 14.3 t -67.04 -34.87 72.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.32 -45.28 95.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.2 pt-20 -66.51 -42.25 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 29.7 m-70 -71.04 -33.55 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 803' ' ' GLU . 0.0 OUTLIER -75.23 -30.94 60.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 2.9 t -112.96 66.27 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . 0.53 ' HG3' ' CD2' ' A' ' 806' ' ' HIS . 23.7 tp60 -137.37 145.92 43.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 805' ' ' GLN . 47.1 m-70 54.21 51.04 15.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 5.5 m -144.84 130.22 18.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.791 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 75.75 -164.66 54.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 -27.68 26.33 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 13.3 m -72.13 130.37 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 8.6 t -119.08 -51.4 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 61.8 p -81.48 121.27 26.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.9 m -142.38 121.23 12.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -136.1 111.06 0.85 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.516 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.7 m -75.47 -42.68 52.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.919 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 67.9 m -54.67 176.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -139.08 -31.97 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.419 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 744' ' ' LYS . 10.7 ptp -62.58 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 743' ' ' MET . 12.5 ptpt -62.33 -34.14 76.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -69.56 -42.88 73.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.487 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 15.5 mtmt -64.78 -48.09 75.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -58.03 -43.33 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 58.7 m -61.99 -39.37 91.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.67 78.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.719 ' CE1' HD11 ' A' ' 754' ' ' LEU . 40.1 t80 -65.71 -49.42 68.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 754' ' ' LEU . 15.3 mtmt -61.83 -42.86 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.6 m -61.11 -41.78 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.827 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 41.8 ttp -59.89 -46.54 89.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.719 HD11 ' CE1' ' A' ' 750' ' ' PHE . 12.2 mt -61.25 -36.02 78.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -66.24 -36.07 82.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -93.45 8.03 42.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -71.38 137.78 48.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.47 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -125.38 124.79 25.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.3 Cg_endo -69.82 169.77 61.95 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.3 0.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.45 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.405 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 27.3 mt -47.94 105.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -68.51 -175.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 16.9 mt -81.0 -21.82 39.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.61 21.75 16.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -80.0 139.79 36.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.417 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 39.2 t -106.39 142.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.494 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.7 t-105 -52.21 -53.06 48.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.8 mt-10 -66.76 -22.15 66.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.417 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 5.9 t70 -78.56 -22.38 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.478 HD12 ' HE2' ' A' ' 774' ' ' PHE . 15.5 pt -108.6 -20.1 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.8 ptm180 -63.23 -41.67 99.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.9 -31.8 71.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 773' ' ' ARG . 4.9 mtp-105 -71.38 -31.11 66.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 776' ' ' LYS . 11.1 m-85 -104.73 -6.35 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.565 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.0 p -37.71 -27.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 774' ' ' PHE . 14.9 mtpt -95.77 -45.11 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 776' ' ' LYS . 7.9 mm-40 -36.96 152.75 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 782' ' ' ASP . 54.1 Cg_endo -69.78 -34.32 14.75 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.827 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -61.14 -44.92 96.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.581 ' CE2' ' NH1' ' A' ' 789' ' ' ARG . 3.0 t80 -70.45 -44.24 68.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.71 -21.8 60.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 778' ' ' PRO . 12.5 m-20 -68.93 -29.15 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 22.2 mm -101.47 91.45 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 8.0 p -63.68 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.576 HD12 ' HG3' ' A' ' 788' ' ' GLU . 87.8 mt -71.84 98.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -51.31 -45.91 62.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 25.6 p -59.74 -41.73 91.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 785' ' ' LEU . 77.0 mm-40 -59.78 -36.4 76.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.581 ' NH1' ' CE2' ' A' ' 780' ' ' PHE . 46.5 mtm180 -72.14 -35.92 69.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -66.62 -47.01 74.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -63.21 -44.5 95.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 66.1 mt -60.9 -40.88 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.598 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 15.8 t80 -62.61 -43.91 97.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -59.15 -45.36 91.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.465 ' O ' HG23 ' A' ' 799' ' ' VAL . 3.8 t70 -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 3.6 t80 -60.93 -39.33 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.598 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 39.7 mtp -64.42 -41.1 96.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.75 -45.09 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 795' ' ' ASP . 23.0 t -66.96 -34.6 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.28 -45.45 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.55 -42.36 87.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 34.0 m-70 -71.05 -33.57 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -76.87 -38.51 53.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 94.7 m -78.74 -24.27 44.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 806' ' ' HIS . 8.1 tm0? -106.25 156.38 18.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' A' ' 806' ' ' HIS . 1.1 m-70 -127.4 -51.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 39.9 t -145.23 138.89 26.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 158.19 177.73 31.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.422 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 811' ' ' SER . 53.7 Cg_endo -69.71 -0.09 6.37 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 91.1 p -47.58 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 809' ' ' PRO . 40.5 t -121.56 111.56 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 738' ' ' SER . 59.8 p -113.7 42.14 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 737' ' ' SER . 12.6 t -35.89 139.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -98.84 -125.32 5.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 5.2 t -145.46 137.22 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 28.8 t -55.54 121.79 9.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.772 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -167.12 -140.0 2.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 48.9 tpp -64.07 -42.31 97.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -62.33 -43.71 98.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -41.82 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -61.77 -51.01 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -58.02 -43.65 86.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.3 t -62.1 -36.04 80.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -68.55 -36.13 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.074 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.604 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 20.3 t80 -64.78 -49.11 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -64.3 -43.66 94.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -38.3 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.467 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 40.3 ttp -63.88 -46.56 84.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' A' ' 761' ' ' ILE . 15.6 mt -61.8 -38.08 86.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -65.87 -36.06 82.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -90.07 11.63 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.96 169.54 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.452 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -155.21 124.3 3.08 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.495 0.664 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.7 Cg_endo -69.73 169.97 60.63 Favored 'Cis proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.784 -1.757 . . . . 0.0 112.314 -0.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.3 Cg_endo -69.84 127.84 15.1 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.626 HD11 ' HB3' ' A' ' 754' ' ' LEU . 69.7 mt -34.84 105.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -64.82 177.33 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 36.1 mt -77.39 -24.06 50.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -109.78 31.32 5.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.38 143.13 27.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.76 142.02 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.481 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -52.35 -53.04 49.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.438 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 16.5 mt-10 -64.85 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -74.79 -23.67 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 793' ' ' PHE . 22.5 pt -107.32 -18.78 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.6 ptm180 -64.89 -44.39 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 10.0 pt-20 -61.44 -27.46 68.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -74.51 -32.04 62.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -107.33 -2.55 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.527 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.8 p -40.51 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 777' ' ' GLU . 48.9 mttt -91.58 -41.04 11.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 776' ' ' LYS . 5.9 mm-40 -36.17 150.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . 0.41 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.6 Cg_endo -69.71 -35.9 11.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.757 2.305 . . . . 0.0 112.28 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -66.83 -31.66 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 2.5 t80 -75.46 -51.16 13.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . 0.41 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 3.9 pt-20 -65.12 -22.38 66.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.58 -25.43 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 26.1 mm -102.05 117.38 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.7 p -88.59 -54.7 4.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.63 HD12 ' CG ' ' A' ' 788' ' ' GLU . 0.6 OUTLIER -52.18 121.66 7.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -60.3 -40.21 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . 0.455 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 0.7 OUTLIER -66.06 -32.9 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.63 ' CG ' HD12 ' A' ' 785' ' ' LEU . 15.0 mm-40 -59.97 -42.32 93.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -72.1 -41.24 67.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -63.92 -46.99 82.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -60.45 -48.15 83.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.7 -41.01 88.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 38.2 t80 -60.89 -42.63 98.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.0 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.5 t70 -60.38 -41.07 93.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 761' ' ' ILE . 3.1 t80 -63.08 -45.23 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.6 mtp -63.26 -41.36 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.504 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.2 t60 -59.73 -45.36 92.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 795' ' ' ASP . 98.5 t -65.07 -34.44 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.99 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.0 pt-20 -66.5 -40.06 89.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.482 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 41.6 m-70 -72.43 -35.62 68.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -78.3 -31.23 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 51.5 t -57.66 -12.96 3.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 806' ' ' HIS . 10.9 tt0 -101.23 56.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 805' ' ' GLN . 2.7 m-70 35.95 45.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 3.6 m -99.68 -42.63 6.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 119.53 125.93 3.41 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.54 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 52.8 p -62.47 156.98 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 44.4 p -44.86 150.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.4 t 67.14 42.14 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 32.7 t -92.52 105.46 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.804 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -75.39 142.76 29.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.4 m -151.42 133.52 15.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.1 t -71.77 173.46 8.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -69.07 -44.53 66.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 12.2 mtt -65.27 -44.75 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.0 -40.14 94.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -66.99 -46.53 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 25.9 mttm -60.4 -47.82 84.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -59.02 -41.55 88.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -61.85 -45.48 93.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.99 72.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.573 ' CD2' HG13 ' A' ' 783' ' ' ILE . 11.5 t80 -62.18 -49.16 76.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -64.48 -46.65 82.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.8 t -59.89 -36.98 78.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 12.0 tmm? -65.42 -42.98 91.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.75 HD23 ' CE2' ' A' ' 774' ' ' PHE . 43.8 mt -59.58 -45.14 92.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -31.65 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -80.86 7.22 11.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -79.99 166.24 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.451 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -152.39 122.69 3.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.73 170.03 60.34 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.344 0.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 138.69 38.26 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.365 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 754' ' ' LEU . 93.9 mt -46.08 105.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.6 -178.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 49.9 mt -83.45 -20.44 34.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -104.92 24.68 11.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -88.04 141.94 28.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 768' ' ' GLU . 88.7 t -104.64 147.17 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.1 t-105 -51.35 -48.25 62.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.492 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 27.2 mt-10 -68.86 -21.74 64.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.98 -18.03 41.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.634 HD11 ' CD1' ' A' ' 793' ' ' PHE . 14.9 pt -110.43 -20.11 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 775' ' ' VAL . 3.0 ptm180 -64.98 -43.65 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.1 tp10 -65.54 -21.64 66.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -74.66 -32.29 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.75 ' CE2' HD23 ' A' ' 754' ' ' LEU . 10.7 m-85 -111.71 -8.21 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.2 t -51.38 -25.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -20.13 22.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -69.72 155.42 93.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -39.11 6.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.385 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.01 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.736 ' CZ ' HG22 ' A' ' 775' ' ' VAL . 1.7 t80 -76.04 -48.85 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -58.89 -21.96 58.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.38 -37.51 77.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.626 HG21 ' HG3' ' A' ' 789' ' ' ARG . 25.4 mm -74.15 97.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 40.9 p -67.05 -48.04 69.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.99 116.68 8.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -63.06 -40.45 97.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 32.6 p -59.93 -33.88 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 788' ' ' GLU . 0.1 OUTLIER -59.78 -43.13 94.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.626 ' HG3' HG21 ' A' ' 783' ' ' ILE . 12.3 mtp180 -68.37 -42.48 79.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -64.86 -47.04 79.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -65.29 -43.75 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -41.24 88.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.634 ' CD1' HD11 ' A' ' 770' ' ' ILE . 18.4 t80 -62.26 -45.42 93.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -57.8 -44.3 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.568 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.4 t0 -62.81 -40.45 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -61.19 -44.09 97.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 33.1 mtp -62.3 -40.61 96.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.51 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.0 t60 -59.69 -45.2 92.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 795' ' ' ASP . 20.2 t -67.29 -34.78 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.32 -45.37 93.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.5 pt-20 -66.75 -42.16 86.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.419 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 26.2 m-70 -70.11 -33.67 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . 0.53 ' HG3' HG12 ' A' ' 799' ' ' VAL . 5.5 mt-10 -65.26 -43.0 92.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 8.4 t -90.8 26.04 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -104.2 45.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 42.51 38.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 56.7 p -173.95 164.8 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -88.21 159.88 30.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.81 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.245 . . . . 0.0 112.314 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 16.1 m -100.46 120.64 40.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 52.3 p -110.68 176.33 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 29.9 t -113.98 116.67 29.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 7.8 t -92.98 91.08 7.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -143.99 -98.7 0.27 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 18.1 m -98.25 113.49 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 31.3 t -91.74 44.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -88.19 -58.06 1.82 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -41.16 97.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -65.88 -42.85 89.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -70.09 -44.89 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 783' ' ' ILE . 15.9 mtpp -65.2 -46.55 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -58.95 -44.41 91.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.5 t -61.93 -44.89 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.35 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.507 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 29.8 t80 -65.32 -49.26 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -60.83 -42.31 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 4.9 m -59.71 -45.25 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.803 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -59.49 -42.92 93.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.551 HD22 HD11 ' A' ' 761' ' ' ILE . 78.7 mt -59.18 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . 0.499 ' HG2' ' CE2' ' A' ' 796' ' ' PHE . 0.1 OUTLIER -67.49 -32.36 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -80.68 5.91 14.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -80.07 154.81 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.471 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -144.52 122.86 6.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.69 170.04 60.08 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.419 -0.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.56 33.3 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.551 HD11 HD22 ' A' ' 754' ' ' LEU . 84.8 mt -38.24 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.83 158.49 35.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.22 -29.11 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.17 27.0 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 157.46 17.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.97 141.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.585 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.0 t-105 -51.44 -53.03 41.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.33 -22.04 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 772' ' ' GLU . 26.9 t70 -80.16 -21.1 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' A' ' 793' ' ' PHE . 17.6 pt -110.06 -18.64 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.7 ptm180 -64.99 -46.32 81.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 5.3 pm0 -59.3 -24.75 63.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -75.82 -32.46 59.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -110.3 6.26 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.512 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 9.9 p -52.62 -15.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.402 ' HD2' HG12 ' A' ' 775' ' ' VAL . 0.0 OUTLIER -102.95 -37.55 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -40.4 154.22 0.2 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.647 0.737 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -39.08 7.07 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -61.35 -37.26 82.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 28.0 t80 -74.26 -42.66 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -64.61 -24.26 67.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -69.21 -42.1 76.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.505 HD11 ' HB3' ' A' ' 746' ' ' LYS . 11.2 mm -81.45 101.44 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.3 p -76.65 -37.72 55.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.559 ' H ' HD12 ' A' ' 785' ' ' LEU . 4.5 mp -71.04 115.78 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.423 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 30.5 tt0 -57.82 -41.47 82.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.9 p -59.92 -36.42 76.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.91 -40.7 89.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 28.1 mtt85 -71.13 -35.18 71.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -70.18 -46.85 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -47.6 85.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.88 -41.0 87.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.593 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.8 t80 -59.16 -44.72 92.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 799' ' ' VAL . 8.4 t0 -65.34 -39.4 92.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 754' ' ' LEU . 3.3 t80 -62.09 -39.95 94.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.593 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.7 mtp -68.59 -39.25 81.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.646 ' NE2' ' CE1' ' A' ' 802' ' ' HIS . 2.0 t60 -59.81 -45.39 92.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 795' ' ' ASP . 13.5 t -73.71 -35.43 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 761' ' ' ILE . 15.4 tp -54.45 -47.45 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 19.1 pt-20 -74.45 -36.57 63.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.646 ' CE1' ' NE2' ' A' ' 798' ' ' HIS . 7.8 m-70 -59.37 -41.93 90.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.63 -43.95 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 47.5 t -55.61 -50.3 70.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -60.39 127.79 33.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -55.56 119.73 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 17.3 t -157.57 126.95 5.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.808 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 91.4 -161.33 27.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 131.5 21.34 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.619 2.212 . . . . 0.0 112.32 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 66.8 m -42.11 122.3 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 42.2 m -80.02 151.44 29.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.7 m -73.99 -62.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 91.8 p -90.56 154.87 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -103.13 -141.43 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 32.5 p -95.18 87.33 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.0 m -110.63 99.88 8.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -129.99 -72.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.94 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -69.89 -35.39 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -73.85 -37.6 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 40.7 mttp -67.72 -45.65 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -63.75 -45.24 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 17.9 t -62.04 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.24 -34.4 77.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 754' ' ' LEU . 36.7 t80 -65.03 -49.08 71.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -61.03 -44.39 97.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 6.4 t -60.58 -38.75 85.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.415 ' HE1' ' HB2' ' A' ' 780' ' ' PHE . 47.4 ttp -62.96 -44.19 96.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 761' ' ' ILE . 17.6 mt -63.44 -42.61 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -62.57 -35.93 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -90.8 8.44 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.41 156.3 37.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -143.82 124.48 7.84 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.594 0.711 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.68 169.95 60.49 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.327 -0.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.13 27.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.738 HD11 HD22 ' A' ' 754' ' ' LEU . 98.0 mt -49.94 104.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -67.08 167.56 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.2 -30.18 68.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.965 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -97.54 28.86 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -92.84 146.69 23.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.0 t -102.59 140.43 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.573 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.3 t-105 -50.91 -53.29 33.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 79.7 mt-10 -66.89 -23.6 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.452 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 6.5 t70 -77.53 -19.86 55.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 18.9 pt -113.16 -17.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.636 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.5 ptm180 -63.36 -51.06 67.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.52 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 4.8 tt0 -54.77 -22.52 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -74.13 -34.07 63.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -109.32 -4.69 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.64 HG22 ' CZ ' ' A' ' 780' ' ' PHE . 2.5 t -56.56 -22.77 15.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -90.04 -19.65 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.57 153.68 91.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -38.41 7.72 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -56.36 -40.12 74.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.64 ' CZ ' HG22 ' A' ' 775' ' ' VAL . 0.9 OUTLIER -75.89 -44.14 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.02 -22.08 62.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.86 -34.33 77.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 46.3 mm -81.86 96.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 71.5 p -67.93 -47.12 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.492 ' H ' HD12 ' A' ' 785' ' ' LEU . 5.2 mp -68.05 118.62 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.93 -39.34 94.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.4 p -60.26 -34.25 73.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -60.48 -42.02 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 783' ' ' ILE . 40.3 mtt180 -69.03 -41.55 77.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -63.27 -46.61 86.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.22 -46.08 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.27 -41.21 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.592 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 41.5 t80 -60.03 -43.4 95.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -61.27 -45.06 96.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.506 ' O ' HG23 ' A' ' 799' ' ' VAL . 6.7 t70 -64.17 -41.83 96.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 800' ' ' LEU . 17.5 t80 -61.16 -40.58 94.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.592 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.2 mtp -66.07 -40.16 90.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.4 t60 -59.41 -45.72 90.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 795' ' ' ASP . 11.5 t -72.73 -35.07 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 796' ' ' PHE . 12.6 tp -54.63 -46.0 73.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 13.9 pt-20 -73.6 -42.08 62.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.491 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 9.2 m-70 -62.24 -33.93 75.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -74.08 -45.66 47.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 805' ' ' GLN . 58.1 m -71.91 -61.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 804' ' ' CYS . 15.7 mm-40 37.24 50.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -121.5 -57.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 36.4 p -50.11 143.08 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 809' ' ' PRO . . . -73.68 -61.14 3.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 808' ' ' GLY . 53.8 Cg_endo -69.72 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 70.3 m -118.74 -45.27 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.0 m -76.4 107.71 8.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 14.1 m -58.82 -46.39 87.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 77.2 p -83.49 118.09 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -145.23 -62.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 58.6 p -113.99 91.93 3.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 85.7 p -84.08 168.16 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . 0.469 ' C ' ' NZ ' ' A' ' 746' ' ' LYS . . . 145.15 122.62 1.55 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 51.8 mtm -61.57 -22.79 65.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -67.99 -42.46 80.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -72.17 -40.52 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.469 ' NZ ' ' C ' ' A' ' 742' ' ' GLY . 2.5 mtmp? -67.59 -44.06 79.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -67.88 -45.46 74.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 15.6 t -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.82 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.27 86.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 754' ' ' LEU . 37.3 t80 -61.94 -48.92 78.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . 0.417 ' HA ' HD12 ' A' ' 754' ' ' LEU . 6.0 mtmp? -62.64 -47.43 83.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.6 t -61.17 -37.67 83.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.407 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 39.3 ttp -62.63 -42.97 99.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.781 HD22 HD11 ' A' ' 761' ' ' ILE . 14.5 mt -63.16 -41.54 99.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -68.15 -28.75 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -82.89 -6.95 59.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.403 ' HB2' ' HE1' ' A' ' 774' ' ' PHE . . . -68.52 166.09 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.443 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -153.66 123.59 3.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.512 0.672 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.76 170.06 60.34 Favored 'Cis proline' 0 C--O 1.231 0.133 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.375 0.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 142.2 47.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.68 2.253 . . . . 0.0 112.379 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.781 HD11 HD22 ' A' ' 754' ' ' LEU . 70.1 mt -47.82 105.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -64.68 164.3 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.35 -29.0 66.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -99.29 28.96 4.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -93.53 146.38 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 770' ' ' ILE . 59.9 t -102.82 143.73 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.579 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.0 t-105 -51.14 -53.35 35.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.443 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 17.9 mt-10 -67.61 -21.93 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.41 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 14.5 t0 -81.86 -16.29 51.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 766' ' ' VAL . 15.9 pt -115.04 -19.21 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 775' ' ' VAL . 5.3 ptm180 -62.33 -44.18 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 3.6 tt0 -54.63 -24.11 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 30.3 mtp85 -73.11 -33.98 65.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' A' ' 754' ' ' LEU . 6.6 m-85 -109.1 -4.32 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.3 t -55.84 -19.3 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -101.72 -8.88 21.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.93 152.55 68.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -39.13 6.98 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.282 . . . . 0.0 112.373 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.407 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -57.36 -44.42 84.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.653 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 0.2 OUTLIER -75.73 -35.13 60.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.34 -21.77 62.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . 0.439 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 9.5 t0 -65.87 -35.85 81.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 11.6 mm -74.9 98.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 18.3 p -64.15 -48.08 77.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.75 118.54 16.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.41 -35.18 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 73.9 p -61.44 -35.62 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -59.97 -40.15 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.653 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 29.9 mtm180 -71.59 -38.98 70.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . 0.515 ' HE3' ' CD1' ' A' ' 767' ' ' TRP . 8.4 ttmt -64.44 -46.03 84.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.36 -46.11 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -41.29 88.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.3 t80 -59.43 -45.15 92.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.803 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -59.83 -45.38 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 799' ' ' VAL . 11.6 t70 -61.81 -42.92 99.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.852 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 7.0 t80 -60.92 -37.97 84.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.7 mtp -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.5 t60 -60.24 -45.22 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 795' ' ' ASP . 18.8 t -67.3 -34.7 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.63 -45.32 94.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.5 pt-20 -66.92 -42.53 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -70.25 -33.58 71.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . 0.461 ' HG2' HG12 ' A' ' 799' ' ' VAL . 4.3 mm-40 -75.74 -40.01 56.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 9.0 m -106.65 42.07 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -74.55 128.38 35.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 57.85 33.56 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 32.1 t -133.67 153.58 51.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -102.63 121.56 7.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 169.81 18.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.268 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 3.2 t -157.67 131.91 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 37.9 t -154.67 129.36 9.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.425 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 37.7 t 57.12 42.85 25.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 1.9 t -146.38 146.95 30.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 121.08 66.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 124.23 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 11.5 p -76.3 155.61 34.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -121.3 -165.34 12.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -63.6 -37.13 86.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.85 95.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -67.08 -36.65 82.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -68.36 -47.1 68.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.23 -48.47 80.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 13.6 t -62.05 -43.83 98.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.06 -32.55 74.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.797 ' CE2' HD11 ' A' ' 754' ' ' LEU . 49.7 t80 -66.03 -48.6 70.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . 0.43 ' HA ' HD12 ' A' ' 754' ' ' LEU . 5.3 mtmp? -60.26 -44.31 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 10.9 p -59.84 -44.51 94.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.722 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 42.2 ttp -59.37 -44.03 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.797 HD11 ' CE2' ' A' ' 750' ' ' PHE . 22.7 mt -61.26 -35.92 78.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -67.55 -36.09 80.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -80.82 -0.77 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.09 153.24 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.461 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -142.39 124.35 8.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.9 Cg_endo -69.7 169.94 60.61 Favored 'Cis proline' 0 C--O 1.233 0.23 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 128.96 16.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 87.0 mt -37.95 105.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -62.79 -175.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 61.7 mt -84.41 -18.84 34.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.92 27.72 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -86.18 143.84 27.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 49.8 t -102.85 140.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 5.7 t-105 -51.09 -53.09 37.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.427 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 43.2 mt-10 -64.85 -24.14 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -75.64 -24.77 56.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.447 ' O ' ' CD1' ' A' ' 774' ' ' PHE . 18.1 pt -107.63 -17.99 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.427 ' CD ' ' HA ' ' A' ' 768' ' ' GLU . 4.2 ptm180 -63.95 -35.28 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.87 -21.95 66.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -76.08 -30.06 58.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.759 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 776' ' ' LYS . 4.5 m-85 -107.39 -7.73 16.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.537 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 6.7 p -35.44 -33.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 774' ' ' PHE . 18.5 mmmt -96.27 -40.54 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 50.4 mm-40 -37.23 148.35 0.2 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -38.65 7.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.722 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -59.97 -41.21 91.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 1.1 t80 -72.87 -42.13 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -63.21 -24.46 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.27 -35.3 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.459 HG21 ' HG2' ' A' ' 789' ' ' ARG . 29.9 mm -87.93 72.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.9 OUTLIER -47.51 -40.12 17.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 785' ' ' LEU . 0.2 OUTLIER -74.66 104.0 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 787' ' ' SER . 8.5 pt-20 -51.88 -34.99 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 80.2 p -59.82 -39.47 85.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 26.7 mm-40 -59.95 -37.7 80.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.459 ' HG2' HG21 ' A' ' 783' ' ' ILE . 25.9 mtt85 -71.64 -35.7 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.805 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -66.22 -45.24 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -63.52 -47.46 81.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.88 -41.03 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 55.7 t80 -60.07 -43.4 95.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.816 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -61.44 -44.73 96.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.518 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.6 t0 -63.69 -42.1 98.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.44 ' CE1' HD13 ' A' ' 800' ' ' LEU . 20.6 t80 -61.59 -40.75 95.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.543 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 38.2 mtp -65.43 -40.76 93.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.1 t60 -59.43 -45.67 90.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.0 t -72.84 -35.2 48.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 796' ' ' PHE . 11.7 tp -54.54 -46.05 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 802' ' ' HIS . 8.2 pt-20 -73.58 -42.09 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.5 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 8.2 m-70 -59.73 -38.77 82.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.02 -46.7 33.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 69.0 m -78.98 46.49 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -92.5 -26.93 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -122.9 177.73 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 73.1 m -51.39 125.71 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -146.78 -172.2 16.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -48.74 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.727 2.285 . . . . 0.0 112.286 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 27.7 p -69.11 153.47 43.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 36.4 p -58.32 90.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 11.6 t -113.29 -50.63 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.827 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 59.5 p 42.97 41.87 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 125.92 111.27 1.78 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 2.9 m -111.96 109.66 19.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.0 t -163.48 107.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -166.69 114.24 0.58 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.435 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.89 -31.97 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -38.29 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -68.83 -42.9 76.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -61.03 -46.58 90.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -64.38 -39.22 93.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 47.7 t -63.46 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -70.66 -34.24 71.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.613 ' HA ' ' HB1' ' A' ' 779' ' ' ALA . 34.8 t80 -63.48 -48.95 75.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -65.03 -43.21 93.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.0 m -60.63 -38.05 83.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.686 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 42.2 ttp -66.02 -44.79 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.604 HD11 ' CE1' ' A' ' 750' ' ' PHE . 60.0 mt -59.07 -39.26 81.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.83 10.18 10.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.19 175.85 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.477 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -160.54 124.61 2.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.4 Cg_endo -69.83 169.54 63.15 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 -1.81 . . . . 0.0 112.355 0.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.74 19.89 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.454 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 754' ' ' LEU . 84.3 mt -40.75 105.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -68.53 -175.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 45.2 mt -79.68 -17.17 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -113.68 28.03 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . 0.406 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -84.48 139.95 31.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 82.0 t -105.13 142.6 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.531 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.6 t-105 -52.35 -52.96 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -65.77 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -78.95 -23.49 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.502 HD12 HD22 ' A' ' 754' ' ' LEU . 18.9 pt -107.11 -19.2 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 775' ' ' VAL . 4.0 ptm180 -63.53 -39.72 95.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.0 -31.7 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -72.88 -29.98 63.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.532 ' CE2' HD23 ' A' ' 754' ' ' LEU . 6.3 m-85 -112.26 8.39 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 771' ' ' ARG . 7.8 p -57.64 -11.07 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -115.91 -26.93 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.433 ' CB ' ' SD ' ' A' ' 753' ' ' MET . 5.7 mm-40 -49.32 153.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -39.23 6.95 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.394 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.686 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.7 -38.04 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.06 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.14 -43.54 51.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -61.83 -25.4 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.02 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 5.6 mm -90.11 113.48 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 1.8 p -89.03 -56.2 3.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.584 HD12 ' CG ' ' A' ' 788' ' ' GLU . 0.7 OUTLIER -49.98 125.26 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -60.86 -44.96 96.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 72.7 p -61.99 -33.1 73.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.584 ' CG ' HD12 ' A' ' 785' ' ' LEU . 4.1 mm-40 -60.07 -42.48 94.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -71.04 -41.38 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -65.11 -44.88 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -60.95 -46.81 89.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.6 mt -63.67 -42.7 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.536 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 39.1 t80 -60.59 -42.8 97.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -62.12 -43.93 97.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.28 -41.77 97.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 8.5 t80 -61.37 -47.96 83.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.536 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 40.4 mtp -60.13 -39.58 86.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.2 t60 -59.84 -45.37 92.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.62 -34.44 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.9 tp -62.26 -45.46 93.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.1 pt-20 -66.4 -40.03 89.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 42.1 m-70 -72.33 -36.22 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.36 -33.09 49.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 1.5 p -84.76 -24.08 28.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -69.6 -66.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -38.5 -66.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 94.8 p -120.47 110.21 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 139.8 85.78 0.12 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 97.39 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 20.3 p -118.77 45.28 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.785 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 35.1 t -103.31 101.51 11.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 5.9 t -50.24 171.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 739' ' ' GLY . 32.7 t -97.32 81.43 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 738' ' ' SER . . . 35.76 -105.24 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 92.7 p 42.28 49.68 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 96.1 p -132.0 47.61 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.807 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 90.25 -51.53 3.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . 0.449 ' HA ' ' NZ ' ' A' ' 746' ' ' LYS . 21.0 ptp -61.02 -28.93 69.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.358 . . . . 0.0 110.803 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -43.67 98.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -73.6 -31.58 63.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.449 ' NZ ' ' HA ' ' A' ' 743' ' ' MET . 6.4 mtmp? -67.46 -46.77 72.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.44 -43.06 86.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.8 p -61.42 -45.95 92.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.95 73.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 754' ' ' LEU . 34.4 t80 -63.86 -48.68 75.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -62.2 -47.2 85.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 8.1 t -59.87 -36.44 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.531 ' SD ' ' CG ' ' A' ' 774' ' ' PHE . 15.3 tmm? -66.81 -39.66 87.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.627 HD22 HD12 ' A' ' 770' ' ' ILE . 33.7 mt -67.25 -44.2 80.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 756' ' ' GLN . 9.5 pttm -67.2 -36.08 80.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 755' ' ' LYS . 6.5 pt20 -80.94 0.04 37.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.14 154.98 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.447 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -138.55 122.69 11.51 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.654 0.74 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.6 Cg_endo -69.73 169.97 60.62 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.345 -0.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 127.68 14.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.371 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 754' ' ' LEU . 77.2 mt -41.43 105.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.47 -177.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 59.0 mt -78.64 -22.31 47.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -105.66 27.37 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 761' ' ' ILE . . . -85.34 145.3 27.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 28.6 t -108.49 142.94 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.548 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.1 t-105 -51.26 -53.05 39.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.467 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 57.4 mt-10 -65.23 -24.47 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -74.75 -25.31 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.627 HD12 HD22 ' A' ' 754' ' ' LEU . 15.7 pt -106.61 -19.98 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.9 ptm180 -62.91 -35.94 81.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.09 -30.47 70.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -72.78 -31.84 65.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.531 ' CG ' ' SD ' ' A' ' 753' ' ' MET . 7.6 m-85 -109.04 0.26 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.536 HG13 ' HG2' ' A' ' 776' ' ' LYS . 7.1 p -40.77 -32.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.536 ' HG2' HG13 ' A' ' 775' ' ' VAL . 20.9 mmtt -93.35 -35.07 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 776' ' ' LYS . 57.9 mm-40 -35.79 149.23 0.13 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.659 0.742 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.3 Cg_endo -69.75 -36.43 10.84 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.82 2.347 . . . . 0.0 112.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -66.67 -31.36 71.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.555 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.9 t80 -75.72 -50.99 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 3.7 pt-20 -65.54 -21.84 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.85 -41.1 92.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 785' ' ' LEU . 12.6 mm -74.85 86.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 17.4 p -54.58 -39.3 67.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.54 ' O ' HG22 ' A' ' 783' ' ' ILE . 5.5 mp -81.74 121.26 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.94 -39.85 95.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 1.2 m -59.93 -33.36 71.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 783' ' ' ILE . 16.9 mm-40 -60.88 -39.93 91.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.555 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 36.6 mtm180 -71.58 -40.87 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -62.71 -45.8 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -62.13 -47.89 82.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.09 -40.98 87.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.573 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 57.0 t80 -59.2 -43.3 92.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -62.56 -45.34 93.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.1 t0 -66.44 -39.21 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -62.15 -43.11 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.573 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 42.5 mtp -65.65 -39.12 91.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.5 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.3 t60 -60.31 -45.07 94.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 795' ' ' ASP . 5.3 t -66.97 -34.82 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.22 -45.21 95.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 6.9 pt-20 -66.84 -42.27 86.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 27.7 m-70 -70.77 -33.62 70.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -34.24 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.21 44.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -90.04 -46.82 8.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -95.63 52.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 4.0 t 58.05 52.96 7.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -53.3 146.11 20.69 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.54 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 810' ' ' SER . 53.5 Cg_endo -69.67 2.64 3.3 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.355 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 809' ' ' PRO . 2.5 m -34.39 -40.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.8 t -76.79 111.3 12.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 60.3 p -147.3 118.44 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.935 0.398 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 28.1 m -81.46 115.84 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -179.9 -71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 23.1 t -148.91 156.53 42.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.885 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 36.7 p -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 167.24 41.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 29.9 tpp -65.04 -45.02 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 25.4 tttp -65.43 -44.73 86.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -67.25 -45.73 75.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -60.2 -47.1 87.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -64.03 -40.4 96.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 20.4 m -62.01 -45.83 91.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -64.2 -35.65 81.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.77 ' CE1' HD11 ' A' ' 754' ' ' LEU . 40.3 t80 -62.18 -49.27 76.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -60.15 -45.84 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 5.3 m -61.36 -40.09 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.693 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 39.2 ttp -60.05 -41.43 92.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.77 HD11 ' CE1' ' A' ' 750' ' ' PHE . 18.0 mt -67.45 -37.5 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -63.52 -36.09 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -86.94 5.43 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.0 147.05 47.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.447 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -135.06 124.51 16.51 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.533 0.682 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.78 169.43 63.46 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.381 0.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 136.53 33.45 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 754' ' ' LEU . 79.3 mt -45.21 105.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -64.55 -175.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 30.7 mt -84.68 -33.94 23.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -103.85 36.24 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.72 149.79 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 769' ' ' ASP . 77.5 t -103.34 136.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.57 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 9.3 t-105 -54.03 -51.19 64.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.443 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.2 mt-10 -66.16 -21.91 66.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.447 ' CB ' ' HB ' ' A' ' 766' ' ' VAL . 10.9 t70 -82.15 -21.2 36.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.411 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 19.5 pt -107.81 -19.92 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.465 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.1 ptm180 -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 775' ' ' VAL . 15.8 pt-20 -53.73 -19.57 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . 0.438 ' NH2' ' O ' ' A' ' 758' ' ' ALA . 73.5 mtp180 -81.27 -26.83 35.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 8.1 m-85 -111.45 -8.25 14.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.2 m -37.46 -43.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 777' ' ' GLU . 3.1 mmmm -78.5 -44.59 24.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 776' ' ' LYS . 78.6 mm-40 -34.46 151.11 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -38.97 6.94 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.677 2.251 . . . . 0.0 112.282 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.693 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.16 -36.09 76.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 780' ' ' PHE . 4.8 t80 -75.48 -46.75 30.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -61.44 -24.12 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -65.87 -41.29 91.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.455 ' O ' ' NH2' ' A' ' 789' ' ' ARG . 11.1 mm -80.37 103.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 16.5 p -75.27 -43.45 51.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.518 ' H ' HD12 ' A' ' 785' ' ' LEU . 5.1 mp -70.89 119.95 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.436 ' HA ' ' NH1' ' A' ' 789' ' ' ARG . 5.5 pt-20 -61.22 -39.02 88.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.4 p -59.87 -34.61 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.6 -42.17 98.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.531 ' HB3' ' CZ2' ' A' ' 767' ' ' TRP . 32.6 mtt85 -69.03 -36.13 77.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -70.14 -46.89 63.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -62.99 -44.5 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.86 -44.03 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 767' ' ' TRP . 41.0 t80 -58.66 -45.47 89.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -58.28 -44.15 88.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 799' ' ' VAL . 5.2 t70 -61.96 -43.08 99.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -60.77 -40.05 91.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.545 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 31.3 mtp -64.07 -41.36 97.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.489 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 8.1 t60 -59.92 -45.47 92.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 795' ' ' ASP . 38.7 t -66.8 -34.85 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.4 -45.28 94.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.4 pt-20 -67.11 -41.54 86.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.433 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 26.7 m-70 -70.87 -33.43 70.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.13 -45.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 93.1 m -111.84 74.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.29 166.73 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 55.97 53.39 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 87.9 p -98.09 -36.69 10.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -173.7 -158.58 18.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 15.6 m -117.86 109.34 16.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.784 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 54.3 p -117.91 -42.91 2.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.46 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 53.4 m -127.31 169.77 13.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 61.7 p -144.24 125.69 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -88.47 -113.59 1.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 7.2 m -153.88 126.61 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 62.3 p -94.17 43.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -104.73 139.33 14.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 4.1 ptp -65.83 -44.04 86.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -62.07 -41.53 98.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.84 -39.24 90.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.441 ' HG2' ' CG ' ' A' ' 782' ' ' ASP . 20.6 mttm -68.23 -49.6 59.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.61 -43.36 97.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.7 t -61.92 -45.98 91.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.38 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 754' ' ' LEU . 37.5 t80 -61.27 -49.01 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -63.69 -44.86 92.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 34.5 t -59.78 -41.77 91.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.547 ' SD ' ' CD1' ' A' ' 774' ' ' PHE . 14.5 tmm? -62.81 -40.85 98.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 750' ' ' PHE . 50.9 mt -63.33 -36.88 85.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -69.06 -35.95 77.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -86.76 12.06 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -78.67 144.16 35.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -132.2 124.38 19.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.76 170.36 58.87 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.62 -1.825 . . . . 0.0 112.381 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 137.99 36.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.719 2.28 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 754' ' ' LEU . 43.2 mt -55.18 105.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -70.68 -179.36 2.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 5.4 mp -77.24 -29.28 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -99.85 32.61 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -96.3 139.25 32.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.508 HG12 ' OE2' ' A' ' 768' ' ' GLU . 24.1 t -98.45 144.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 12.2 t-105 -54.55 -45.41 73.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.508 ' OE2' HG12 ' A' ' 766' ' ' VAL . 1.6 mp0 -67.16 -21.85 65.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.97 -35.43 50.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 16.2 pt -100.07 -15.26 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 775' ' ' VAL . 1.2 ttt-85 -65.01 -52.74 54.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.81 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.44 ' HA ' ' CG2' ' A' ' 775' ' ' VAL . 8.8 tp10 -54.65 -35.6 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -62.06 -33.93 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 770' ' ' ILE . 10.9 m-85 -105.18 -8.57 18.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.499 ' HA ' ' CE1' ' A' ' 780' ' ' PHE . 1.9 t -47.91 -26.7 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -93.9 -20.48 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 774' ' ' PHE . 75.2 mm-40 -64.63 149.38 95.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.851 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . 0.416 ' HA ' ' HG2' ' A' ' 781' ' ' GLU . 53.8 Cg_endo -69.75 -38.31 8.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.72 71.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 4.5 t80 -76.17 -51.26 12.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.949 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 778' ' ' PRO . 1.8 pt-20 -63.91 -21.42 66.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . 0.441 ' CG ' ' HG2' ' A' ' 746' ' ' LYS . 10.2 t0 -65.24 -10.15 29.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.647 HG21 ' HG2' ' A' ' 789' ' ' ARG . 18.5 mm -97.71 91.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.2 p -58.54 -46.27 87.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.43 ' O ' HG22 ' A' ' 783' ' ' ILE . 5.6 mp -80.11 115.56 19.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -59.04 -35.41 73.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 60.5 p -59.9 -34.6 73.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 792' ' ' ILE . 31.8 mt-10 -60.82 -40.51 93.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.647 ' HG2' HG21 ' A' ' 783' ' ' ILE . 17.0 mtm180 -70.64 -38.04 73.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -69.71 -46.14 66.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 11.1 ttt85 -64.96 -46.16 82.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 788' ' ' GLU . 63.6 mt -60.96 -40.83 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.597 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 25.6 t80 -61.1 -45.34 95.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -59.8 -45.14 93.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.71 ' O ' HG23 ' A' ' 799' ' ' VAL . 9.2 t0 -62.46 -41.05 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 10.9 t80 -61.97 -40.19 94.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.597 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 30.8 mtp -65.94 -41.47 91.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 801' ' ' GLU . 3.1 t60 -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 795' ' ' ASP . 9.6 t -67.02 -34.95 73.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.25 -45.47 94.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 8.6 pt-20 -66.42 -42.2 88.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.5 m-70 -71.18 -33.68 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -68.8 -45.33 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 6.5 m -53.5 -47.08 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . 0.572 ' HG2' ' CD2' ' A' ' 806' ' ' HIS . 25.3 tt0 -95.26 146.26 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.572 ' CD2' ' HG2' ' A' ' 805' ' ' GLN . 0.1 OUTLIER -43.11 151.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 69.2 m -120.2 -57.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 89.76 -162.92 30.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -21.69 33.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.632 2.221 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 29.0 m -62.22 166.84 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.778 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 14.1 p -97.25 -55.07 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.44 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 8.5 t -41.84 117.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 8.5 p -100.95 -20.86 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 168.56 -141.58 6.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 56.2 m -98.97 85.83 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 2.9 m -131.75 154.94 48.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -106.07 -39.09 2.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.54 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 22.1 tpp -64.07 -39.25 93.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.946 0.403 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -67.35 -41.3 85.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -71.46 -48.64 48.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 783' ' ' ILE . 23.4 mttm -62.93 -48.46 78.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.99 -46.86 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 21.6 m -61.76 -41.47 97.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -65.84 -33.72 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.751 ' CE1' HD11 ' A' ' 754' ' ' LEU . 50.8 t80 -64.95 -49.13 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . 0.407 ' HA ' HD12 ' A' ' 754' ' ' LEU . 33.2 mtmt -60.01 -45.11 93.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 2.9 t -61.37 -40.68 95.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -60.39 -41.5 93.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.751 HD11 ' CE1' ' A' ' 750' ' ' PHE . 17.2 mt -65.4 -38.58 90.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -64.28 -36.13 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.51 4.35 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.04 149.33 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.182 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.458 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -136.86 123.23 13.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 111.078 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.72 170.07 60.09 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.307 0.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 138.79 38.57 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.623 2.215 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 754' ' ' LEU . 72.5 mt -49.03 105.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.49 -174.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.6 mt -84.25 -28.64 27.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.73 35.66 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -99.19 140.04 33.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 96.6 t -101.74 150.3 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.582 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.9 t-105 -58.31 -53.17 61.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.462 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 35.4 mt-10 -65.38 -21.98 66.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.429 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.1 m-20 -78.84 -26.94 44.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.495 ' O ' ' CD2' ' A' ' 774' ' ' PHE . 17.5 pt -103.54 -20.17 5.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.533 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 6.4 ptm180 -63.68 -50.88 67.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.782 ' O ' HG22 ' A' ' 775' ' ' VAL . 8.1 tp10 -53.76 -19.53 4.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . 0.44 ' NH2' ' HD2' ' A' ' 759' ' ' PRO . 27.9 mtp180 -81.39 -26.94 35.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 777' ' ' GLU . 10.3 m-85 -111.13 -8.16 14.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.3 m -38.01 -38.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -83.53 -33.59 25.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 774' ' ' PHE . 6.7 mm-40 -48.36 149.6 2.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.695 0.76 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -38.98 6.9 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -60.04 -36.26 76.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.599 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 11.2 t80 -75.79 -46.08 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.12 -21.9 66.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -65.88 -27.76 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 746' ' ' LYS . 14.9 mm -96.1 88.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 11.8 p -57.31 -32.89 67.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.495 ' CB ' ' HG2' ' A' ' 788' ' ' GLU . 6.1 mt -78.87 107.85 11.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 787' ' ' SER . 0.3 OUTLIER -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 786' ' ' GLU . 72.4 p -62.52 -36.8 83.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.495 ' HG2' ' CB ' ' A' ' 785' ' ' LEU . 56.2 mm-40 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.599 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 39.9 mtm180 -67.7 -38.34 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.814 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -61.36 -46.48 90.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -65.12 -44.83 87.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 60.5 mt -60.81 -40.97 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 13.5 t80 -62.61 -43.94 97.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -57.94 -45.48 86.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 799' ' ' VAL . 4.2 t0 -61.56 -40.41 94.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.1 t80 -60.82 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 34.8 mtp -64.35 -39.93 94.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 1.9 t60 -60.01 -45.2 93.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 795' ' ' ASP . 23.1 t -67.27 -34.68 70.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 8.6 tp -60.5 -45.27 94.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.983 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -67.05 -42.21 85.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 27.5 m-70 -70.44 -33.61 71.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -68.15 -39.87 82.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.44 -43.79 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.01 41.35 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 39.86 42.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 1.2 t -110.43 168.69 9.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -155.59 145.19 11.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 151.53 69.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 25.5 t -49.2 -49.44 42.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.8 t -71.42 134.4 46.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 55.8 m -104.16 115.18 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 29.3 t -157.33 151.15 24.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . -167.92 130.36 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.4 m -106.51 111.44 24.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 39.4 m -103.71 -9.87 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 97.31 -109.09 3.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 44.3 mtt -65.7 -33.7 76.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -67.42 -39.71 85.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -67.14 -41.93 85.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -65.88 -46.42 78.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.2 p -62.13 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.41 83.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.662 ' CE1' HD11 ' A' ' 754' ' ' LEU . 41.4 t80 -62.75 -48.73 77.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.12 -45.52 90.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 9.7 t -60.0 -39.13 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.47 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 37.1 ttp -62.84 -43.97 97.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.662 HD11 ' CE1' ' A' ' 750' ' ' PHE . 24.8 mt -60.33 -41.57 93.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -68.96 -28.77 66.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -83.99 1.49 43.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.535 ' HB2' ' CE1' ' A' ' 774' ' ' PHE . . . -75.05 172.37 12.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.454 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -157.83 124.73 2.59 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 53.5 Cg_endo -69.8 169.75 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.618 -1.826 . . . . 0.0 112.346 0.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 761' ' ' ILE . 54.2 Cg_endo -69.76 130.52 19.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' A' ' 754' ' ' LEU . 85.6 mt -35.09 105.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -62.14 -176.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.65 -21.42 25.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.19 28.4 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -90.13 141.03 29.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 769' ' ' ASP . 39.6 t -95.11 142.29 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 8.4 t-105 -50.98 -53.13 35.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.469 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 83.9 mt-10 -65.29 -22.0 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 766' ' ' VAL . 3.6 m-20 -79.26 -22.14 45.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.488 HD11 ' CD1' ' A' ' 793' ' ' PHE . 21.5 pt -111.21 -15.07 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 775' ' ' VAL . 4.9 ptm180 -65.19 -46.36 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.462 ' N ' ' CG ' ' A' ' 771' ' ' ARG . 2.6 pp20? -54.59 -22.42 13.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . 0.416 ' NH2' ' HB ' ' A' ' 770' ' ' ILE . 32.7 mtm180 -72.97 -33.0 65.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 757' ' ' ALA . 6.0 m-85 -111.31 -5.34 14.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 771' ' ' ARG . 2.6 t -55.32 -17.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -100.07 -21.89 15.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -69.98 153.42 95.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.609 0.718 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -37.62 8.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.317 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.47 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -55.84 -40.13 72.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 1.3 t80 -76.01 -46.8 27.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.84 -22.57 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -28.61 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 10.8 mm -87.03 99.19 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 785' ' ' LEU . 0.8 OUTLIER -72.56 -38.07 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.796 HD13 ' HG3' ' A' ' 788' ' ' GLU . 0.2 OUTLIER -78.78 109.95 13.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -56.09 -35.83 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 79.1 p -60.47 -37.32 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.796 ' HG3' HD13 ' A' ' 785' ' ' LEU . 36.1 mm-40 -60.29 -44.91 94.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 43.2 mtm180 -66.91 -35.97 81.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 28.6 tttp -69.04 -46.46 67.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -63.42 -44.56 94.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.92 -44.37 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.589 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 33.8 t80 -58.73 -45.13 90.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -58.18 -45.07 88.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 799' ' ' VAL . 4.5 t70 -64.35 -38.89 92.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 4.2 t80 -63.76 -39.56 94.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.589 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 32.3 mtp -66.39 -41.46 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.606 ' NE2' ' CE1' ' A' ' 802' ' ' HIS . 3.8 t60 -59.83 -45.35 92.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.0 t -73.0 -35.17 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 796' ' ' PHE . 13.7 tp -55.01 -46.68 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 798' ' ' HIS . 21.9 pt-20 -74.1 -37.88 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.606 ' CE1' ' NE2' ' A' ' 798' ' ' HIS . 7.6 m-70 -59.18 -41.59 88.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -74.07 -46.82 40.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 3.4 t -91.79 36.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.41 -47.87 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -85.37 -39.28 17.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 66.5 m -50.64 -47.7 58.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.783 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -108.62 142.89 16.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 810' ' ' SER . 54.6 Cg_endo -69.72 153.33 69.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.733 2.288 . . . . 0.0 112.371 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 809' ' ' PRO . 16.7 m 35.53 50.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 39.4 t -68.2 -43.73 77.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 3.7 t -69.07 90.53 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 65.4 p -160.04 146.53 15.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 142.11 151.83 5.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 73.0 m -106.69 -59.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 64.0 p -167.46 145.83 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.789 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 129.18 -139.07 10.69 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 25.3 ttp -64.47 -32.96 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -69.16 -43.99 73.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -67.32 -42.08 84.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -61.06 -50.23 74.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . 0.413 ' C ' ' OE1' ' A' ' 747' ' ' GLU . 0.0 OUTLIER -60.97 -42.23 97.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.1 m -61.91 -44.3 97.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.32 76.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.65 ' CE1' HD11 ' A' ' 754' ' ' LEU . 33.4 t80 -65.34 -49.17 70.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 754' ' ' LEU . 29.1 mttm -62.23 -38.21 88.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 3.1 m -66.02 -40.98 91.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . 0.48 ' SD ' ' HB3' ' A' ' 779' ' ' ALA . 35.6 ttp -61.75 -43.27 99.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.65 HD11 ' CE1' ' A' ' 750' ' ' PHE . 11.9 mt -65.23 -40.98 94.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -62.0 -35.41 78.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -89.7 8.96 28.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -74.81 143.31 44.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.442 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -130.76 123.9 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.196 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.0 Cg_endo -69.75 169.83 61.42 Favored 'Cis proline' 0 C--O 1.231 0.155 0 C-N-CA 122.765 -1.765 . . . . 0.0 112.345 0.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 761' ' ' ILE . 53.0 Cg_endo -69.84 126.64 13.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.613 2.208 . . . . 0.0 112.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . 0.439 HD11 HD22 ' A' ' 754' ' ' LEU . 56.8 mt -34.25 105.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.25 -177.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.61 -35.43 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -99.06 28.36 4.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -83.67 140.71 31.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 38.6 t -100.08 141.36 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.1 t-105 -51.64 -52.46 47.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.445 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 26.9 mp0 -66.7 -23.04 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -76.5 -23.99 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . . . . . . . . . 19.8 pt -107.3 -20.02 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 772' ' ' GLU . 5.2 ptm180 -63.59 -45.29 91.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . 0.784 ' O ' HG22 ' A' ' 775' ' ' VAL . 6.3 tp10 -53.8 -20.15 5.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -81.12 -26.8 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . 0.485 ' CE2' HD23 ' A' ' 754' ' ' LEU . 11.4 m-85 -111.76 -7.74 14.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 772' ' ' GLU . 1.0 OUTLIER -37.44 -30.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 774' ' ' PHE . 27.1 mtmm -96.09 -41.81 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 776' ' ' LYS . 64.0 mm-40 -37.24 151.14 0.13 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -39.13 7.03 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.48 ' HB3' ' SD ' ' A' ' 753' ' ' MET . . . -60.89 -38.54 86.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 775' ' ' VAL . 0.6 OUTLIER -75.21 -41.44 57.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.78 -23.4 67.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.96 -39.71 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.46 ' O ' ' NE ' ' A' ' 789' ' ' ARG . 24.4 mm -81.77 107.47 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 3.0 p -79.78 -56.36 4.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 785' ' ' LEU . 0.3 OUTLIER -55.96 123.25 13.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -61.19 -39.62 90.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 59.6 p -65.13 -32.99 74.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.573 ' HG3' HD12 ' A' ' 785' ' ' LEU . 13.9 mt-10 -59.82 -41.9 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 783' ' ' ILE . 64.4 mtt180 -72.18 -41.88 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -64.01 -46.23 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 -60.77 -48.4 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.84 -41.87 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.595 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 35.0 t80 -60.72 -45.41 94.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -58.04 -45.32 87.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.602 ' O ' HG23 ' A' ' 799' ' ' VAL . 2.9 t70 -61.84 -42.62 99.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -61.02 -39.36 89.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.595 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 36.0 mtp -65.02 -41.13 95.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.1 t60 -60.37 -45.01 95.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 795' ' ' ASP . 8.9 t -66.79 -34.91 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.55 -45.33 94.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 7.8 pt-20 -66.53 -42.28 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 30.6 m-70 -71.4 -33.49 69.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -77.84 -38.84 45.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 5.2 t -88.96 47.06 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 807' ' ' SER . 4.5 tp-100 -139.14 171.09 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 807' ' ' SER . 0.3 OUTLIER -38.43 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 806' ' ' HIS . 6.7 t 34.1 54.01 0.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . 68.05 -155.83 52.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -25.05 28.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 30.2 m -54.31 95.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 53.4 m -82.31 45.58 0.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.436 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 736' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 737' ' ' SER . . . . . . . . . . . . . 24.8 m -88.25 154.69 20.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 738' ' ' SER . . . . . . . . . . . . . 40.9 t -130.89 -52.36 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . 177.79 -49.91 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 87.5 p -40.06 -47.47 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.771 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 93.8 p -70.11 152.58 44.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -113.72 40.08 2.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' MET . . . . . . . . . . . . . 23.4 ttm -63.65 -44.87 92.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -67.69 -41.99 82.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -68.42 -37.86 80.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -68.66 -47.55 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -64.3 -41.63 96.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 44.0 t -62.44 -42.22 99.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' ALA . . . . . . . . . . . . . . . -67.59 -35.21 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.677 ' CE1' HD11 ' A' ' 754' ' ' LEU . 41.8 t80 -62.64 -48.18 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -62.12 -46.2 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 755' ' ' LYS . 15.2 m -59.88 -43.83 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -59.84 -39.48 85.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' LEU . . . . . 0.677 HD11 ' CE1' ' A' ' 750' ' ' PHE . 72.9 mt -64.58 -40.37 95.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 752' ' ' SER . 7.5 pttp -76.32 -21.55 56.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -79.85 -9.93 59.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.17 165.98 14.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' ALA . . . . . 0.437 ' HA ' ' C ' ' A' ' 759' ' ' PRO . . . -148.49 122.29 4.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.722 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 758' ' ' ALA . 54.4 Cg_endo -69.68 170.04 60.05 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.388 -0.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 135.62 30.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' ILE . . . . . . . . . . . . . 51.1 mt -38.24 105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.64 -175.84 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 22.6 mt -83.96 -13.79 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.16 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' ALA . . . . . . . . . . . . . . . -91.55 139.1 31.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' VAL . . . . . . . . . . . . . 62.6 t -101.81 142.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 793' ' ' PHE . 7.2 t-105 -51.13 -52.31 45.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' GLU . . . . . 0.447 ' HA ' ' CD ' ' A' ' 771' ' ' ARG . 12.6 mt-10 -64.46 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -25.72 49.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' ILE . . . . . 0.673 HD12 HD22 ' A' ' 754' ' ' LEU . 26.6 pt -105.32 -19.02 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 775' ' ' VAL . 3.4 ptm180 -64.94 -38.78 92.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.93 -27.34 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' ARG . . . . . 0.407 ' CD ' ' HA ' ' A' ' 770' ' ' ILE . 38.1 mtp180 -74.82 -32.39 61.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -109.11 0.02 19.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' VAL . . . . . 0.479 HG13 ' HG2' ' A' ' 776' ' ' LYS . 8.6 p -40.93 -33.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' LYS . . . . . 0.479 ' HG2' HG13 ' A' ' 775' ' ' VAL . 16.6 mmtt -90.63 -37.97 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 776' ' ' LYS . 53.1 mm-40 -37.47 152.25 0.13 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.644 0.735 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.59 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 750' ' ' PHE . . . -60.33 -36.81 78.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' PHE . . . . . 0.598 ' CZ ' ' NH1' ' A' ' 789' ' ' ARG . 5.0 t80 -74.7 -47.18 32.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.49 -24.11 65.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.84 -40.77 88.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.478 ' CG2' ' HG2' ' A' ' 789' ' ' ARG . 27.9 mm -83.43 111.72 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' THR . . . . . . . . . . . . . 6.6 p -85.17 -55.99 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' LEU . . . . . 0.533 ' N ' HD23 ' A' ' 785' ' ' LEU . 0.5 OUTLIER -55.1 126.32 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -62.16 -45.88 91.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 88.0 p -60.73 -32.8 72.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' GLU . . . . . 0.5 ' CG ' HD12 ' A' ' 785' ' ' LEU . 39.9 mm-40 -59.76 -43.43 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' ARG . . . . . 0.598 ' NH1' ' CZ ' ' A' ' 780' ' ' PHE . 60.4 mtt180 -72.03 -35.77 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 790' ' ' LYS . 0.9 OUTLIER -69.99 -40.3 75.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -65.0 -49.04 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.98 -41.04 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.186 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' PHE . . . . . 0.601 ' CZ ' ' SD ' ' A' ' 797' ' ' MET . 49.6 t80 -60.24 -45.27 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -59.78 -45.23 92.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ASP . . . . . 0.731 ' O ' HG23 ' A' ' 799' ' ' VAL . 2.5 t70 -65.2 -38.09 89.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 796' ' ' PHE . 9.0 t80 -62.49 -45.76 91.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' MET . . . . . 0.601 ' SD ' ' CZ ' ' A' ' 793' ' ' PHE . 37.0 mtp -63.33 -39.5 94.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' HIS . . . . . 0.486 ' C ' ' CD2' ' A' ' 798' ' ' HIS . 2.3 t60 -60.39 -44.99 95.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 795' ' ' ASP . 12.1 t -66.78 -34.89 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.33 -45.3 95.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 798' ' ' HIS . 9.0 pt-20 -66.54 -41.8 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' HIS . . . . . 0.434 ' N ' ' HG3' ' A' ' 801' ' ' GLU . 28.7 m-70 -71.51 -33.57 69.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.05 -37.06 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' CYS . . . . . . . . . . . . . 49.8 t -118.48 80.36 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' GLN . . . . . 0.42 ' C ' ' CD2' ' A' ' 806' ' ' HIS . 3.9 pt20 -117.21 127.68 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 805' ' ' GLN . 5.1 m-70 -132.57 172.13 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' SER . . . . . . . . . . . . . 56.6 m -78.33 84.24 4.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' GLY . . . . . . . . . . . . . . . -148.68 85.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.554 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.661 2.24 . . . . 0.0 112.324 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' SER . . . . . . . . . . . . . 44.9 m -102.25 107.2 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 24.4 t -58.89 103.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 stop_ save_