data_2epd_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 2epd _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 ' 749' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -85.71 119.08 25.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -117.95 151.02 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 98.6 t -103.6 135.27 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.35 101.7 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 1.9 t -56.66 -34.84 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 44.3 m-85 -148.07 153.58 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.57 124.75 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 758' ' ' THR . 38.5 t80 -121.99 158.62 28.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 757' ' ' TYR . 77.2 m -139.23 106.04 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -48.37 126.91 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -65.21 -40.97 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.0 p -131.73 173.23 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.3 -39.57 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.07 -47.88 74.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.15 161.49 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 43.9 mt -113.53 171.7 7.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' SER . . . . . 0.439 ' O ' ' ND1' ' A' ' 788' ' ' HIS . 22.7 t -132.21 151.4 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.445 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 7.1 p90 -174.71 156.52 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 769' ' ' ARG . 61.3 mtt-85 -100.97 140.8 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 768' ' ' ARG . 1.9 tmt_? -35.14 129.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . 0.432 ' N ' ' HD3' ' A' ' 769' ' ' ARG . . . 101.0 -29.28 12.86 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.74 114.19 4.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 50.1 t -70.32 151.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.01 133.19 26.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -78.49 121.14 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 36.8 mt -91.4 90.95 7.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 785' ' ' ARG . 16.7 m170 -47.19 -61.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -168.1 146.69 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.631 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 9.4 tpp180 -38.99 141.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.417 ' HB3' ' C ' ' A' ' 784' ' ' TRP . . . -117.5 -39.82 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.2 t -151.89 -175.05 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.5 t -60.68 -38.8 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.1 36.93 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -149.46 162.7 39.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.631 ' CZ2' ' CZ ' ' A' ' 778' ' ' ARG . 40.1 m95 -139.82 -179.02 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 776' ' ' HIS . 23.0 mtt-85 -125.09 115.49 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.407 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -141.33 178.83 20.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -132.91 113.57 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.2 t-160 -81.73 -177.22 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -57.92 99.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.08 62.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 36.6 mtm -127.05 153.22 46.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -141.38 130.4 23.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -178.9 -158.81 22.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.94 171.08 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.01 132.51 13.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.8 Cg_endo -69.76 125.21 11.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 66.2 t60 -79.42 -8.45 59.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -93.71 -30.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.82 3.34 55.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.5 pp -128.21 139.09 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.8 m -111.38 115.52 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.77 152.91 89.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.709 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 50.4 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -99.9 127.94 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.17 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.04 135.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.42 132.97 44.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 4.4 t -91.92 -36.75 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -137.08 147.5 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.24 126.9 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -122.12 154.75 36.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 759' ' ' GLY . 98.0 m -133.18 90.67 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.94 125.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.46 -43.92 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.3 p -129.47 171.7 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.07 -42.9 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.78 152.33 28.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 63.7 mt -108.27 161.85 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 50.7 p -125.84 116.57 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -130.37 158.59 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -95.77 150.46 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -44.21 129.72 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 82.83 11.83 80.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.01 117.7 25.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 98.4 t -71.73 145.15 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.31 167.41 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . 0.41 ' O ' ' CA ' ' A' ' 786' ' ' GLY . 54.6 mtt180 -118.22 123.87 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 47.6 mt -90.1 93.63 9.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.0 m170 -59.36 -46.63 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -155.06 160.5 41.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.564 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.5 tpt180 -88.82 91.72 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -51.26 -55.68 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.3 m -142.39 -175.5 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 43.5 t -75.71 -9.03 58.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.07 -27.18 3.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -110.05 152.21 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.564 ' CZ2' ' HD3' ' A' ' 778' ' ' ARG . 57.3 m95 -128.59 168.18 16.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 776' ' ' HIS . 72.6 mtt180 -117.99 115.14 24.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 774' ' ' ARG . . . -143.82 -174.36 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -137.15 123.7 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.7 t-160 -79.84 -177.22 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . 0.407 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 13.0 m120 -68.92 71.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 112.87 -10.57 25.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 791' ' ' MET . . . . . 0.415 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.7 mmm -118.4 162.37 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . 0.409 ' C ' HD23 ' A' ' 765' ' ' LEU . 67.6 mtp180 -140.99 138.65 33.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.2 -168.41 41.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.07 176.53 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 51.7 mt -148.2 131.77 8.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 111.137 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.9 Cg_endo -69.78 128.67 16.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 9.0 t60 -78.96 -15.44 58.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -84.44 -32.78 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -96.5 22.71 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.5 pp -147.01 144.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.6 m -111.84 103.33 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 797' ' ' HIS . 80.9 mt -60.28 151.38 68.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.805 0.336 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -98.54 122.99 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.56 161.23 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.19 136.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 767' ' ' PHE . . . -64.25 103.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 12.3 t -67.79 -27.98 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 43.7 m-85 -149.1 151.45 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.98 127.68 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -127.63 153.99 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 90.3 m -129.46 99.43 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 134.9 3.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -80.04 -35.52 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 63.2 p -134.06 160.91 36.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.39 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -48.35 -41.94 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.85 145.79 26.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 40.2 mt -93.45 177.73 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.1 p -139.41 112.48 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 753' ' ' ALA . 17.6 p90 -132.4 160.3 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -104.69 154.17 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -45.79 122.5 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 106.61 -31.9 7.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.49 115.53 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 773' ' ' LEU . 43.7 t -77.25 143.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 772' ' ' VAL . 0.3 OUTLIER -133.07 135.26 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -85.71 116.78 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 795' ' ' ILE . 44.4 mt -85.58 96.25 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.51 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 9.1 m170 -49.69 -55.6 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 778' ' ' ARG . 6.3 tp10 -168.26 149.72 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 777' ' ' GLU . 5.6 tpt180 -50.99 121.81 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.421 ' CB ' ' HG2' ' A' ' 785' ' ' ARG . . . -92.09 -48.22 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.1 -174.98 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 1.5 t -63.73 -43.16 97.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.11 35.69 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -150.01 160.76 43.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.42 ' CE3' HD11 ' A' ' 775' ' ' LEU . 54.6 m95 -139.2 170.47 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 776' ' ' HIS . 5.4 mmt85 -113.79 127.42 56.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.51 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -154.61 177.92 31.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -137.77 120.19 15.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.1 t-160 -79.69 -177.03 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . 0.5 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 0.3 OUTLIER -66.8 72.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.64 27.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 31.3 mtm -112.4 162.57 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -147.03 137.53 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.34 -165.06 37.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.68 168.96 17.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.463 ' CG2' HG23 ' A' ' 800' ' ' ILE . 43.0 mt -136.41 132.53 18.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 111.099 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 121.63 8.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 34.5 t60 -74.31 -4.49 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -95.2 -28.66 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . 0.418 ' C ' HG22 ' A' ' 800' ' ' ILE . 7.6 m-85 -104.2 28.2 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.463 HG23 ' CG2' ' A' ' 795' ' ' ILE . 2.6 pp -148.75 137.24 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 53.1 m -108.98 103.66 12.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 75.4 mt -54.12 151.74 12.31 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.336 179.871 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.817 0.341 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.1 123.41 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -118.98 156.9 28.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.24 142.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -81.77 108.2 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.4 p -70.18 -23.01 62.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -147.99 150.53 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.64 133.96 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -126.17 158.08 36.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 96.1 m -136.14 105.24 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -53.11 128.89 38.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.71 -39.05 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 29.4 p -125.17 163.86 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -53.81 -47.96 70.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.79 153.26 38.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 39.0 mt -103.27 174.93 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 75.5 m -134.47 116.64 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -141.84 158.8 43.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -108.29 150.41 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -39.43 134.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 95.45 -28.5 11.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.64 115.27 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.15 156.9 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.95 130.59 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -77.14 119.41 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 46.2 mt -90.93 96.1 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 776' ' ' HIS . 7.4 m170 -58.69 -60.52 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -160.34 147.54 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.476 ' HD3' ' CE2' ' A' ' 784' ' ' TRP . 1.1 tpp85 -50.53 135.83 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -102.89 -42.28 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -144.56 173.89 11.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 77.9 p -50.0 -34.69 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -133.06 40.35 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -149.07 163.6 37.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.476 ' CE2' ' HD3' ' A' ' 778' ' ' ARG . 62.0 m95 -139.75 175.03 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -124.18 112.77 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.35 -178.05 15.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -132.77 120.9 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -79.76 -177.16 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.93 76.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 105.57 -10.23 45.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 791' ' ' MET . . . . . 0.453 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 37.0 mtm -116.39 162.26 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . 0.422 ' C ' HD22 ' A' ' 765' ' ' LEU . 77.4 mtm180 -144.7 132.95 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.46 -164.11 32.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.23 171.61 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.6 mt -141.63 131.32 12.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.85 8.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 46.6 t60 -76.48 -3.2 36.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -96.28 -26.45 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -101.96 31.68 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 9.9 pt -149.74 165.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 16.6 m -130.35 94.59 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 51.5 mt -55.35 154.25 12.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . 0.452 HG11 ' N ' ' A' ' 750' ' ' GLU . 65.1 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . 0.452 ' N ' HG11 ' A' ' 749' ' ' VAL . 12.2 mt-10 -117.62 125.63 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.22 159.29 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.5 t -109.85 149.76 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 767' ' ' PHE . . . -85.72 109.9 18.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.03 -33.49 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -136.51 155.82 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -71.42 131.83 43.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -128.29 158.41 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 91.6 m -140.52 107.94 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -54.83 135.73 46.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -78.83 -41.75 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 71.4 p -123.2 173.17 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -52.3 -40.88 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -53.19 -45.47 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -79.93 156.13 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 73.5 mt -108.62 175.31 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 17.3 m -137.29 122.35 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.57 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 13.2 p90 -145.8 162.09 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 769' ' ' ARG . 44.8 ttt85 -108.72 157.7 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 768' ' ' ARG . 2.6 tmm_? -49.16 124.25 8.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.11 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.88 112.7 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 773' ' ' LEU . 22.4 t -70.58 144.08 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.453 ' N ' HG12 ' A' ' 772' ' ' VAL . 0.4 OUTLIER -135.9 133.33 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -82.71 120.83 26.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.48 94.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.51 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 14.9 m170 -53.48 -61.57 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 16.2 tt0 -161.78 152.71 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 7.2 tpp85 -52.24 131.99 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.425 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -101.7 -44.47 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.88 179.18 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 23.6 p -50.87 -43.63 59.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.24 41.65 3.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -148.4 163.86 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -137.67 -178.38 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 776' ' ' HIS . 72.4 mtt180 -131.57 113.46 13.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.51 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -140.74 -177.91 16.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.42 113.68 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.6 t-160 -79.86 -177.32 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -57.88 98.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.95 62.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 7.4 mtt -126.95 155.04 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -139.84 133.42 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.38 -168.36 40.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.5 mt -79.61 172.13 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.0 mt -138.56 131.17 16.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.707 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.89 13.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.83 -15.43 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -91.85 -1.38 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.99 31.39 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 7.9 pt -149.2 175.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 96.4 m -138.56 115.83 11.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.73 154.71 85.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.82 121.6 29.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.03 155.9 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.23 139.31 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.61 98.53 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.23 -36.89 83.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.22 150.46 51.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.57 127.59 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -126.02 149.88 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 759' ' ' GLY . 86.9 m -126.69 91.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.44 138.54 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 1.6 mpt_? -82.2 -32.75 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 73.8 p -144.14 178.14 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.06 -54.15 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -42.08 -41.84 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.72 148.64 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 41.0 mt -102.75 169.69 8.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 89.9 p -129.51 124.02 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -147.44 157.17 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -104.53 143.77 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -37.37 128.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 104.72 -35.57 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.07 111.68 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.72 144.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.42 137.21 45.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -81.55 125.92 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 795' ' ' ILE . 48.3 mt -95.99 94.26 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.498 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 9.1 m170 -53.01 -60.45 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -162.04 147.81 13.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -45.59 134.91 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.413 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -104.22 -42.74 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.72 -175.07 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 22.7 t -54.57 -51.33 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.28 40.14 3.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -148.94 160.35 43.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.417 ' CZ2' HD12 ' A' ' 802' ' ' LEU . 56.7 m95 -138.43 -178.57 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.413 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 28.9 mtt180 -129.82 115.3 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -143.61 -177.62 18.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -133.72 121.85 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.495 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.6 t-160 -79.77 -177.1 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . 0.495 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 65.4 t30 -67.13 73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.84 -11.02 34.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 791' ' ' MET . . . . . 0.452 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 30.6 mtm -115.45 161.39 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -143.18 136.73 28.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.48 -163.76 34.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 9.7 mt -82.96 176.93 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.435 HD12 ' CD2' ' A' ' 775' ' ' LEU . 48.9 mt -144.74 131.01 9.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.87 5.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.0 t60 -68.71 -21.52 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -78.36 -38.61 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . 0.419 ' O ' ' CG2' ' A' ' 800' ' ' ILE . 13.7 m-85 -90.72 42.72 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 799' ' ' TYR . 21.1 pt -157.76 165.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 80.0 m -134.51 102.88 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.417 HD12 ' CZ2' ' A' ' 784' ' ' TRP . 68.1 mt -67.27 151.8 96.78 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.395 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.97 119.06 37.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -121.27 147.92 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.43 136.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 767' ' ' PHE . . . -77.11 112.04 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.53 -39.01 86.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.8 162.84 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.75 126.43 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -117.28 153.23 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 759' ' ' GLY . 85.2 m -126.92 89.79 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.57 129.8 0.76 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -71.66 -41.72 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.6 p -134.07 172.15 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.83 -44.46 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -50.88 -43.63 59.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.93 147.08 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 57.5 mt -102.54 172.53 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 69.7 p -133.6 154.01 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' A' ' 773' ' ' LEU . 8.9 p90 -171.72 169.78 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 -113.77 149.77 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -42.0 128.25 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.05 -35.96 4.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.17 112.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 42.5 t -70.08 144.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 767' ' ' PHE . 0.3 OUTLIER -133.14 133.39 42.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -83.04 125.0 30.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.411 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 56.9 mt -94.63 86.88 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -50.76 -48.25 59.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -153.8 177.79 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.459 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.3 tpt180 -96.39 86.89 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.401 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -46.92 -54.18 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.2 t -148.2 -177.09 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.2 t -72.5 -20.3 61.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.8 -19.9 9.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -115.52 157.56 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.459 ' CZ2' ' HD3' ' A' ' 778' ' ' ARG . 48.0 m95 -132.12 166.76 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.401 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 48.1 mtp180 -109.12 122.15 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.68 172.37 28.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -137.62 111.66 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -85.12 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -52.92 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.28 79.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 14.2 mtp -127.05 147.22 50.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -143.24 121.27 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -175.71 -155.03 12.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 13.9 mt -87.5 177.96 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mt -150.09 132.5 8.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.685 0.755 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.4 Cg_endo -69.81 124.46 11.09 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.42 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 29.7 t60 -77.05 -14.44 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -85.75 -32.09 22.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.2 18.58 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.7 pp -144.35 153.58 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.2 m -123.31 121.92 37.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.411 ' CD2' ' CD1' ' A' ' 775' ' ' LEU . 90.5 mt -80.11 152.75 74.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.778 0.323 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.67 136.71 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -127.55 154.97 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 86.6 t -101.64 131.67 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 767' ' ' PHE . . . -66.42 104.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 799' ' ' TYR . 2.0 t -59.98 -48.47 81.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.94 149.58 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.1 134.66 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.02 156.22 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -133.36 95.01 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.53 127.63 2.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -73.3 -42.31 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.3 p -127.38 170.33 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.46 -36.69 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -55.42 -45.69 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 764' ' ' GLU . 0.2 OUTLIER -81.48 162.91 23.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 39.9 mt -115.04 176.49 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' SER . . . . . 0.512 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 5.1 t -136.22 147.17 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 753' ' ' ALA . 13.2 p90 -169.57 159.4 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 769' ' ' ARG . 31.2 mtp180 -104.5 141.5 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 768' ' ' ARG . 73.4 ttt180 -35.16 124.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 109.1 -37.52 3.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.49 113.9 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 57.2 t -74.56 140.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.39 131.03 48.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -77.34 125.25 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.563 HD13 ' CE3' ' A' ' 784' ' ' TRP . 64.0 mt -89.33 94.99 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 785' ' ' ARG . 13.9 m170 -57.69 -56.72 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.01 159.64 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 6.9 tpp180 -73.39 80.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.449 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -43.45 -61.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 7.8 t -136.77 -175.01 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.0 t -78.34 -16.48 57.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -123.01 -17.83 6.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -116.28 161.38 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.601 ' CZ2' ' CZ ' ' A' ' 778' ' ' ARG . 46.4 m95 -130.6 171.41 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.449 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 17.1 mtt-85 -119.43 114.67 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.17 -179.77 18.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -134.64 112.38 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.5 t-160 -79.82 -176.89 5.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -55.3 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.86 12.37 67.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.4 mmm -127.2 153.21 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -138.33 132.7 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.96 -158.67 23.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 19.8 mt -86.44 177.53 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.452 ' CG2' HG23 ' A' ' 800' ' ' ILE . 53.9 mt -148.61 132.49 8.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . 0.401 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.82 125.17 11.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 38.3 t60 -78.51 -3.39 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -95.65 -30.67 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 754' ' ' CYS . 2.6 m-85 -97.51 10.82 38.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.452 HG23 ' CG2' ' A' ' 795' ' ' ILE . 2.7 pp -133.02 132.96 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 69.8 m -103.1 115.85 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.436 HD13 ' CZ2' ' A' ' 784' ' ' TRP . 24.8 mt -70.04 156.28 92.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -93.93 138.94 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -132.36 157.68 43.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.73 140.26 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.69 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.1 t -73.89 -44.9 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -130.19 145.23 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.16 118.55 7.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -113.93 151.94 31.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.9 m -131.42 98.85 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.24 131.93 10.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -69.88 -40.1 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 68.0 p -139.14 -179.09 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -49.02 -46.66 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -48.85 -37.18 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -98.34 144.72 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 792' ' ' ARG . 26.9 mt -94.53 -179.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 6.0 m -141.6 126.3 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -150.92 158.68 44.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -103.93 147.17 27.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -39.71 127.66 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.81 -32.85 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.38 114.83 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 51.0 t -75.49 148.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.4 135.36 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -81.49 129.07 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 21.7 mt -93.42 96.96 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.8 m170 -56.5 -54.3 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -165.91 157.58 14.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -61.81 128.03 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.447 ' CB ' ' CD2' ' A' ' 794' ' ' LEU . . . -96.64 -42.62 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -148.39 -177.01 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.0 t -66.05 -28.89 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.93 35.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -148.85 174.74 11.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.512 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 70.5 m95 -150.24 174.6 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 776' ' ' HIS . 58.4 mtt180 -124.9 113.24 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -142.0 176.61 21.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.4 t-160 -79.73 -177.09 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -66.93 73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.3 -11.19 36.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 13.3 mmm -115.16 161.53 18.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . 0.407 ' C ' HD22 ' A' ' 765' ' ' LEU . 58.8 mtp180 -143.28 135.87 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 175.51 -163.57 33.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.447 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 10.4 mt -81.29 -179.86 7.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 52.4 mt -150.55 130.23 6.62 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.96 10.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 17.1 t60 -74.81 -10.09 59.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 799' ' ' TYR . 2.7 tmtm? -86.6 -38.13 17.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 798' ' ' LYS . 3.1 m-85 -90.31 37.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.412 HG21 ' C ' ' A' ' 799' ' ' TYR . 17.4 pt -152.18 164.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 28.1 m -133.75 93.63 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.512 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 58.8 mt -57.29 155.42 18.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.874 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.4 124.02 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.75 160.18 20.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.31 144.0 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . 0.497 ' HB3' ' CE1' ' A' ' 767' ' ' PHE . . . -80.3 95.19 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.8 t -51.37 -42.44 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -137.11 155.52 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.58 136.3 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -132.2 153.38 50.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 759' ' ' GLY . 99.9 m -130.17 90.85 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.01 133.17 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -78.56 -39.1 38.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 75.0 p -130.46 169.36 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.92 -46.96 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.43 -49.33 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.98 155.27 32.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 56.4 mt -107.51 173.22 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 28.5 p -132.62 135.46 45.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 773' ' ' LEU . 10.4 p90 -158.22 160.22 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 769' ' ' ARG . 45.9 mtp180 -104.9 141.29 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 768' ' ' ARG . 25.3 ttt180 -34.32 126.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 103.24 -37.05 3.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.85 113.2 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.95 149.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 767' ' ' PHE . 0.5 OUTLIER -138.62 130.08 27.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -79.63 121.95 25.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.556 HD12 ' CE3' ' A' ' 784' ' ' TRP . 60.8 mt -85.19 89.92 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.7 m170 -57.3 -40.35 77.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -157.38 167.48 30.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.565 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 4.8 tpt180 -104.35 86.11 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -46.34 -56.58 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 72.4 p -147.74 178.64 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 40.5 t -72.77 -12.78 61.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -112.59 -27.62 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.36 159.25 24.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 778' ' ' ARG . 61.5 m95 -130.64 177.67 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 776' ' ' HIS . 64.4 mtt180 -128.19 116.07 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.76 177.52 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . 0.403 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.2 tt0 -131.36 112.54 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.76 -176.75 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.48 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.58 69.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.1 mtt -127.27 152.74 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -138.29 130.07 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -177.4 -164.85 31.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.57 -178.86 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 32.3 mt -152.93 132.67 7.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.93 12.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 14.1 t60 -77.29 -19.83 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -86.64 -33.27 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . 0.421 ' C ' HG23 ' A' ' 800' ' ' ILE . 4.0 m-85 -92.08 32.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.421 HG23 ' C ' ' A' ' 799' ' ' TYR . 19.4 pt -146.18 161.42 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 40.4 m -125.82 101.03 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.69 151.78 96.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.616 2.211 . . . . 0.0 112.376 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 129.53 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.12 37.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.38 141.04 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.24 105.06 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 5.8 p -64.04 -35.99 82.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -129.27 168.75 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.7 121.9 34.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.92 150.26 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 759' ' ' GLY . 88.6 m -126.11 87.68 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.36 139.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -87.68 -28.95 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 24.4 p -139.91 178.43 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.19 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 764' ' ' GLU . 20.9 pt20 -40.92 -45.92 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 763' ' ' GLN . 73.9 mt-10 -78.23 147.39 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.61 170.71 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 54.7 p -131.92 120.18 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' A' ' 773' ' ' LEU . 3.1 p90 -146.19 156.6 43.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -103.15 154.66 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -44.56 129.48 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.66 -33.13 6.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.23 111.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.43 150.78 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.424 ' CD1' ' CE2' ' A' ' 767' ' ' PHE . 0.7 OUTLIER -141.75 131.23 23.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -80.8 114.79 19.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.36 99.29 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.404 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 13.8 m170 -59.7 -61.49 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -161.13 150.9 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -50.13 129.67 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -96.75 -45.14 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 m -146.99 -175.02 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 92.6 p -55.73 -40.68 72.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.13 42.98 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -148.95 166.54 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -141.42 170.2 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.446 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 80.8 mtt180 -120.55 110.52 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -137.1 -176.93 14.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.85 113.79 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 3.0 t-160 -79.87 -177.17 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -57.57 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.92 9.63 63.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 28.7 mtm -127.12 153.59 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -138.02 136.28 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.13 -167.46 39.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' A' ' 779' ' ' ALA . 7.8 mt -80.89 178.13 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mt -144.7 130.12 9.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 32.4 t60 -74.8 0.64 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -100.43 -25.66 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -102.05 28.3 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 14.7 pt -142.13 167.36 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.0 m -134.87 96.08 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.61 157.38 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -79.52 129.0 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -121.66 159.71 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.96 145.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . 0.49 ' HB1' ' CD1' ' A' ' 767' ' ' PHE . . . -89.63 100.68 13.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 15.4 p -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.04 174.68 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.83 127.8 38.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -117.58 157.61 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.9 m -134.09 96.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.15 131.01 10.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -76.76 -42.45 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 45.0 p -128.39 165.63 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.97 -46.16 8.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -48.66 -48.27 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.76 149.81 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 65.8 mt -103.99 178.06 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 29.4 p -142.86 138.48 30.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.49 ' CD1' ' HB1' ' A' ' 753' ' ' ALA . 15.0 p90 -156.83 158.96 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -98.16 161.53 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 769' ' ' ARG . 19.1 ttp-105 -53.96 124.89 16.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.5 -33.45 6.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.63 112.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.87 144.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.52 132.31 40.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -79.95 113.27 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 26.9 mt -86.49 92.08 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 785' ' ' ARG . 10.9 m170 -52.21 -63.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.42 158.87 38.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -63.19 107.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -70.35 -53.3 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.2 t -166.26 -175.04 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 3.8 m -61.78 123.46 18.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.0 26.48 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -150.12 147.27 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.559 ' CH2' HD21 ' A' ' 802' ' ' LEU . 55.5 m95 -132.57 177.03 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 20.9 mtp180 -123.76 113.94 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.04 -176.04 15.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -137.58 111.09 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -80.43 -176.59 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.38 93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.56 71.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.6 mtp -127.38 147.53 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -136.45 134.21 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.13 -164.31 37.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.01 173.24 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 96.0 mt -145.44 133.81 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 84.4 t60 -69.04 -20.86 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -76.32 -36.7 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -93.49 36.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -159.03 157.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -134.61 102.92 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.559 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.3 mp -51.27 157.9 1.48 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 750' ' ' GLU . 77.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 749' ' ' VAL . 19.0 mt-10 -118.49 128.84 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -114.81 141.67 47.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.9 132.24 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.12 105.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.7 t -63.97 -41.13 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -140.5 170.95 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.68 125.06 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -125.2 159.96 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.1 m -135.44 104.96 6.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.37 126.47 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -69.83 -35.43 74.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 53.9 p -140.94 171.62 13.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.57 -32.93 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . 0.464 ' CG ' HD11 ' A' ' 794' ' ' LEU . 6.0 tt0 -64.66 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.86 154.84 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 57.3 mt -105.57 164.88 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 12.1 t -129.21 149.88 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 773' ' ' LEU . 13.3 p90 -168.78 169.14 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 33.8 mtt180 -115.79 139.58 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 47.6 ttp180 -34.42 126.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.32 -36.76 4.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -68.05 113.89 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.83 156.81 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 767' ' ' PHE . 0.5 OUTLIER -145.52 126.8 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -58.86 151.06 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 44.6 mt -122.06 85.6 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.467 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.7 m170 -52.7 -66.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 24.1 tt0 -158.47 148.57 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 6.1 tpt180 -53.35 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -67.42 -53.43 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -137.89 -175.31 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.4 t -61.52 -39.04 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.29 37.76 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -150.07 160.15 43.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.521 ' CZ2' HD13 ' A' ' 802' ' ' LEU . 65.6 m95 -135.7 164.01 28.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 11.4 mtt180 -115.22 115.75 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -143.45 -176.07 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.83 113.1 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.72 -176.69 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -52.09 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.05 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 4.9 mmm -127.32 150.74 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -139.51 132.51 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.76 -161.73 32.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.464 HD11 ' CG ' ' A' ' 763' ' ' GLN . 16.4 mt -83.88 174.31 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 94.3 mt -147.52 134.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 123.69 10.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 38.9 t60 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -83.89 -37.04 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -93.15 28.4 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.434 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -151.04 135.6 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.0 m -108.41 109.35 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.521 HD13 ' CZ2' ' A' ' 784' ' ' TRP . 86.3 mt -63.59 151.01 89.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.833 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.844 0.354 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -100.71 122.51 43.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.33 145.38 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.63 133.07 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.62 108.75 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.62 -42.11 95.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.81 143.88 35.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.06 120.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -117.65 149.89 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 89.6 m -125.73 90.8 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.65 130.42 0.56 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -72.76 -43.83 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 66.7 p -128.01 169.59 13.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.36 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -50.08 -46.26 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . 0.412 ' CD ' ' N ' ' A' ' 764' ' ' GLU . 0.1 OUTLIER -82.86 148.13 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 58.0 mt -98.06 173.19 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 55.9 m -136.2 122.74 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.405 ' CE2' ' CD1' ' A' ' 773' ' ' LEU . 11.0 p90 -141.46 154.16 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -91.04 150.06 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -42.66 123.73 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 99.95 -33.91 5.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -52.22 113.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 773' ' ' LEU . 78.0 t -69.41 155.06 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.458 ' N ' HG12 ' A' ' 772' ' ' VAL . 2.7 mt -144.05 135.49 25.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -79.32 121.76 25.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.42 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 47.6 mt -91.81 98.65 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.475 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.9 m170 -63.91 -51.01 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -47.8 136.48 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.445 ' HB3' ' CA ' ' A' ' 784' ' ' TRP . . . -102.69 -40.73 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.1 t -159.69 -175.17 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 80.3 p -53.87 -36.52 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.96 41.79 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -150.39 158.25 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.445 ' CA ' ' HB3' ' A' ' 779' ' ' ALA . 60.1 m95 -135.42 167.27 21.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 779' ' ' ALA . 60.2 mtt85 -115.89 108.54 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.475 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -138.9 -172.87 12.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -137.58 121.37 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -79.44 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.95 72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.23 -16.09 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 4.5 mtt -109.58 159.76 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -144.06 129.2 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.59 -155.74 17.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.94 175.12 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 89.0 mt -145.24 134.0 11.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . 0.454 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.9 Cg_endo -69.77 121.89 8.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 8.2 t60 -72.16 -22.28 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.98 -38.07 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -91.07 27.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.454 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.7 pp -151.71 135.06 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.5 m -105.25 110.34 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.42 ' CD2' ' CD1' ' A' ' 775' ' ' LEU . 24.6 mt -73.37 152.68 90.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.796 0.331 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.21 116.56 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -112.62 152.8 28.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.93 150.32 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 767' ' ' PHE . . . -93.1 98.27 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 755' ' ' PHE . 29.3 p -61.25 -38.61 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . 0.5 ' CD2' ' SG ' ' A' ' 754' ' ' CYS . 59.5 m-85 -125.09 157.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -81.19 127.35 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -119.26 150.14 40.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.6 m -131.69 88.61 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 149.75 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -97.14 -35.49 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 12.2 p -119.69 178.72 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.63 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -53.02 -43.46 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.63 132.57 37.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 55.1 mt -91.06 176.77 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' SER . . . . . 0.423 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 50.8 p -139.55 127.87 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.513 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 9.7 p90 -150.05 156.61 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -99.97 156.32 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -46.75 126.61 8.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.56 -24.8 30.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.21 111.94 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 41.5 t -72.69 141.61 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 767' ' ' PHE . 0.6 OUTLIER -130.56 128.81 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -78.04 125.1 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.507 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 41.7 mt -91.73 88.7 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -58.9 -48.27 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.73 174.53 12.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.481 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 8.0 tpt180 -106.96 92.87 4.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -53.23 -54.78 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -144.68 -178.91 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 38.9 m -74.24 -11.97 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -118.23 -27.05 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -112.68 158.87 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.548 ' CZ2' HD12 ' A' ' 802' ' ' LEU . 50.8 m95 -133.94 165.46 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -111.57 109.28 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -139.54 178.6 19.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.3 137.2 52.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 1.8 t-160 -107.27 -177.03 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.48 95.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 11.44 66.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 791' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 22.2 mtp -127.16 158.92 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 792' ' ' ARG . 14.3 mtp-105 -147.14 128.99 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -179.19 -159.62 23.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 42.0 mt -78.76 -179.5 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -152.22 132.48 7.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . 0.497 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.79 125.84 12.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 11.4 t60 -79.35 -16.16 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -87.79 -28.28 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -97.02 14.07 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.6 pp -140.71 153.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.1 m -121.11 116.34 24.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.548 HD12 ' CZ2' ' A' ' 784' ' ' TRP . 96.0 mt -72.98 152.89 90.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.832 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.76 0.314 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.51 121.96 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.67 157.9 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 753' ' ' ALA . 93.8 t -107.28 138.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . 0.523 ' HB3' ' CD1' ' A' ' 767' ' ' PHE . . . -75.42 104.71 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.5 -55.9 25.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.24 143.92 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.64 122.61 13.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.72 151.24 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -132.27 94.05 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.65 129.09 7.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -75.67 -40.16 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.7 p -125.58 168.43 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.85 -47.32 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -47.91 -49.52 29.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -79.67 135.12 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 34.7 mt -89.31 176.91 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 5.2 t -132.77 146.81 52.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 753' ' ' ALA . 13.4 p90 -173.17 155.8 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 769' ' ' ARG . 2.4 mpt_? -106.16 144.92 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 768' ' ' ARG . 45.7 ttp85 -36.43 125.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 105.12 -37.85 3.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.0 115.46 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.68 147.14 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.09 126.14 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -78.39 115.5 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.479 HD13 ' CE3' ' A' ' 784' ' ' TRP . 32.4 mt -84.15 95.18 8.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.5 m170 -53.46 -47.66 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -160.73 170.49 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.598 ' CD ' ' CZ2' ' A' ' 784' ' ' TRP . 6.2 tpp85 -83.98 77.31 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -43.73 -61.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 34.7 t -141.53 173.67 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.9 p -65.0 -25.08 67.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.54 -28.97 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -106.31 158.22 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.598 ' CZ2' ' CD ' ' A' ' 778' ' ' ARG . 41.2 m95 -135.78 159.01 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 776' ' ' HIS . 1.4 mmm180 -101.72 120.25 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.84 173.86 27.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -142.63 111.0 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -85.89 -176.77 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -52.9 96.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.47 17.51 74.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 2.1 mtt -127.1 143.01 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -140.52 125.12 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 177.13 -160.31 27.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.82 178.59 7.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.2 mt -150.66 132.43 7.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.36 8.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 18.4 t60 -73.16 -6.24 44.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -90.21 -37.22 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.75 16.76 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.6 pp -139.7 139.02 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 74.5 m -111.67 109.61 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.44 HD11 ' CH2' ' A' ' 784' ' ' TRP . 75.2 mt -65.02 154.71 86.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -83.78 126.92 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.77 161.95 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 137.2 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.23 110.55 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 30.5 t -73.9 -31.13 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -137.96 159.64 41.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -80.01 129.65 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -122.01 152.58 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.6 m -132.31 93.28 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -45.9 124.57 7.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -76.58 -31.53 57.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 54.5 p -138.8 167.5 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.52 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -54.45 -40.67 68.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -94.34 135.17 36.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.01 -179.7 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 88.2 p -142.19 128.65 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 773' ' ' LEU . 7.2 p90 -154.48 166.53 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -109.5 151.33 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -43.77 127.08 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.99 -29.77 11.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -59.45 113.7 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 29.3 t -73.61 145.14 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 767' ' ' PHE . 0.4 OUTLIER -140.54 134.06 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -76.19 123.89 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 37.7 mt -90.81 90.51 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.547 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.1 m170 -53.59 -60.36 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.82 142.88 6.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -52.86 122.44 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.543 ' CB ' ' CD2' ' A' ' 794' ' ' LEU . . . -85.87 -47.15 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.9 m -135.52 -176.33 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 88.4 p -61.18 -32.22 71.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.13 40.56 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -148.41 169.8 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -144.32 172.03 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.416 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 60.5 mtt180 -125.67 110.87 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -139.13 -175.64 14.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -132.88 121.83 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -79.67 -176.99 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.1 70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 113.62 -13.29 22.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -115.36 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -146.84 136.22 22.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.49 -165.72 38.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.543 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 9.7 mt -74.43 168.97 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 88.4 mt -141.6 131.67 12.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.26 11.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 75.4 t60 -74.94 -30.69 61.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.05 1.91 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.7 34.6 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.402 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 6.9 pt -153.74 178.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 97.9 m -151.21 105.03 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 4.4 mp -59.99 157.84 28.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.7 125.42 34.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -122.78 147.22 46.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.75 130.76 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.61 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . 0.554 ' SG ' ' CD2' ' A' ' 755' ' ' PHE . 23.6 p -61.23 -34.24 74.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . 0.554 ' CD2' ' SG ' ' A' ' 754' ' ' CYS . 15.2 m-85 -136.12 167.39 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -84.04 133.31 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -128.99 154.23 46.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 759' ' ' GLY . 80.3 m -128.01 94.57 3.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.65 128.87 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.553 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -69.95 -45.47 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.5 p -130.94 168.51 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.71 -43.39 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.33 -48.42 55.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.29 161.92 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . 0.41 HD22 ' C ' ' A' ' 792' ' ' ARG . 28.4 mt -109.41 162.15 14.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 35.7 p -125.6 128.56 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.564 ' CE2' HD13 ' A' ' 773' ' ' LEU . 1.1 p90 -155.54 166.09 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.25 157.66 21.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 769' ' ' ARG . 3.0 tmt_? -41.29 136.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 87.64 -26.4 7.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.41 111.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.77 141.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 767' ' ' PHE . 0.3 OUTLIER -136.49 136.53 39.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -88.69 123.93 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 26.9 mt -85.57 101.41 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.541 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 18.0 m170 -64.67 -49.93 69.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -155.36 159.44 39.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.491 ' HD3' ' CZ3' ' A' ' 784' ' ' TRP . 5.4 tpp85 -76.07 80.07 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . 0.419 ' HB2' ' C ' ' A' ' 784' ' ' TRP . . . -43.83 -61.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.5 t -140.89 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 81.4 p -73.2 -22.32 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -119.44 -13.23 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -118.27 164.89 14.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 797' ' ' HIS . 71.0 m95 -138.33 164.51 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 776' ' ' HIS . 4.7 mmm180 -117.79 114.64 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . 0.541 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -152.26 -177.65 26.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -132.38 122.87 25.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . 0.44 ' CE1' HD23 ' A' ' 773' ' ' LEU . 0.4 OUTLIER -79.72 -176.76 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -66.19 72.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 788' ' ' HIS . . . 110.53 -13.82 30.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 791' ' ' MET . . . . . 0.402 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 2.2 mmt -110.96 157.69 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . 0.41 ' C ' HD22 ' A' ' 765' ' ' LEU . 51.2 mtp180 -141.17 136.54 31.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 165.19 -161.97 35.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.38 179.49 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 49.9 mt -150.52 128.94 5.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.65 5.81 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.4 t60 -69.76 -18.67 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.17 -33.69 50.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . 0.475 ' CD2' ' HB2' ' A' ' 755' ' ' PHE . 18.0 m-85 -95.77 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 799' ' ' TYR . 18.9 pt -159.79 153.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 51.5 m -121.98 90.99 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 33.7 mt -43.64 154.67 0.34 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 803' ' ' PRO . 87.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.59 137.85 32.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -138.08 148.2 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.32 137.87 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -74.46 115.77 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 4.2 m -58.54 -46.98 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -136.12 174.34 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.01 122.03 25.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -115.28 149.93 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.3 m -129.02 93.29 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.05 130.14 6.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -72.6 -41.61 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 67.3 p -137.8 174.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.2 -54.52 5.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 794' ' ' LEU . 0.4 OUTLIER -38.66 -45.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.21 163.65 17.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 53.2 mt -116.14 165.21 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.5 p -126.34 126.83 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . 0.455 ' CE2' HD13 ' A' ' 773' ' ' LEU . 8.8 p90 -153.26 151.29 29.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 768' ' ' ARG . 0.3 OUTLIER -90.67 153.04 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.8 126.12 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.59 -35.13 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -52.09 112.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 63.4 t -67.05 153.61 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 767' ' ' PHE . 0.9 OUTLIER -141.88 144.93 34.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -91.72 113.07 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 48.4 mt -83.85 88.74 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.1 m170 -48.36 -60.81 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -164.12 148.16 9.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -45.22 131.08 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -101.94 -43.36 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -150.59 -174.96 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 36.6 p -57.09 -48.76 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.1 39.77 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -150.01 160.67 43.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.558 ' CZ2' HD13 ' A' ' 802' ' ' LEU . 59.0 m95 -138.79 175.13 9.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 776' ' ' HIS . 22.4 mtp180 -119.21 117.07 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -144.95 179.66 21.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.81 137.72 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -109.78 -176.86 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -54.05 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.77 13.1 68.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.4 mmt -127.17 156.53 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -148.96 134.05 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.51 -155.18 18.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.46 HD13 ' NE2' ' A' ' 763' ' ' GLN . 10.8 mt -86.48 174.67 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.86 130.99 11.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . 0.451 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.2 Cg_endo -69.77 123.08 9.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 10.4 t60 -75.07 -13.37 60.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -86.87 -33.68 19.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.7 23.84 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -146.07 154.59 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.6 m -119.34 112.92 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . 0.558 HD13 ' CZ2' ' A' ' 784' ' ' TRP . 71.9 mt -78.12 151.14 78.42 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . 0.466 ' HG3' ' CG1' ' A' ' 749' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.795 0.331 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -100.87 120.72 40.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.5 164.0 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 91.4 t -108.33 150.76 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -86.33 106.55 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.93 -43.0 86.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -137.89 166.54 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -78.69 124.46 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -119.6 153.98 34.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 91.2 m -128.74 89.88 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.4 131.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 0.7 OUTLIER -72.92 -43.72 62.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 56.4 p -127.66 174.36 9.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.98 -43.55 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.14 -49.27 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.2 158.13 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 47.8 mt -114.1 162.65 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 8.0 t -124.35 148.11 47.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -168.89 159.83 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 3.8 mpt_? -102.96 142.1 34.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 2.7 tmm_? -34.45 129.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.81 -39.46 2.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.39 111.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.28 153.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 1.5 mt -140.88 126.18 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 -78.17 124.26 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.568 HD13 ' CE3' ' A' ' 784' ' ' TRP . 57.6 mt -89.88 87.22 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 785' ' ' ARG . 11.0 m170 -57.83 -44.19 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.19 162.76 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' ARG . . . . . 0.569 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 6.7 tpt180 -97.29 82.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -44.23 -60.35 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.3 t -141.83 178.08 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 69.8 m -69.21 -23.27 63.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.87 -21.77 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -115.95 155.04 28.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 784' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 778' ' ' ARG . 60.9 m95 -130.24 172.06 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 785' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 776' ' ' HIS . 61.9 mtt-85 -120.67 110.18 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.82 179.37 18.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -135.74 111.38 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.78 -176.94 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.68 98.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.81 11.03 65.47 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 33.7 mtm -127.13 150.47 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -139.78 129.93 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -178.61 -160.89 25.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.54 -179.93 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -151.13 132.77 7.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 128.52 16.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 24.2 t60 -81.52 -2.38 49.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -99.36 -30.25 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' TYR . . . . . 0.43 ' C ' HG21 ' A' ' 800' ' ' ILE . 2.6 m-85 -96.95 27.67 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' ILE . . . . . 0.43 HG21 ' C ' ' A' ' 799' ' ' TYR . 17.8 pt -141.01 158.21 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -127.89 101.97 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.93 151.54 95.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.815 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 6.2 t 70.95 43.02 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 88.3 p -82.62 -51.02 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 64.5 158.2 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 3.6 m -127.78 103.64 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 7.1 t -72.56 87.58 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -165.53 -71.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -114.52 104.55 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 748' ' ' VAL . . . -144.9 141.28 9.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 747' ' ' GLY . 57.3 t -148.47 130.75 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 111.116 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.43 122.05 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -85.71 119.08 25.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -117.95 151.02 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 98.6 t -103.6 135.27 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.35 101.7 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 1.9 t -56.66 -34.84 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 44.3 m-85 -148.07 153.58 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.57 124.75 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 758' ' ' THR . 38.5 t80 -121.99 158.62 28.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 757' ' ' TYR . 77.2 m -139.23 106.04 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -48.37 126.91 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -65.21 -40.97 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.0 p -131.73 173.23 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.3 -39.57 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.07 -47.88 74.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.15 161.49 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 43.9 mt -113.53 171.7 7.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' SER . . . . . 0.439 ' O ' ' ND1' ' A' ' 788' ' ' HIS . 22.7 t -132.21 151.4 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.445 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 7.1 p90 -174.71 156.52 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 769' ' ' ARG . 61.3 mtt-85 -100.97 140.8 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 768' ' ' ARG . 1.9 tmt_? -35.14 129.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . 0.432 ' N ' ' HD3' ' A' ' 769' ' ' ARG . . . 101.0 -29.28 12.86 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.74 114.19 4.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 50.1 t -70.32 151.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.01 133.19 26.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -78.49 121.14 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 36.8 mt -91.4 90.95 7.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 785' ' ' ARG . 16.7 m170 -47.19 -61.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -168.1 146.69 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.631 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 9.4 tpp180 -38.99 141.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.417 ' HB3' ' C ' ' A' ' 784' ' ' TRP . . . -117.5 -39.82 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.2 t -151.89 -175.05 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.5 t -60.68 -38.8 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.1 36.93 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -149.46 162.7 39.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.631 ' CZ2' ' CZ ' ' A' ' 778' ' ' ARG . 40.1 m95 -139.82 -179.02 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 776' ' ' HIS . 23.0 mtt-85 -125.09 115.49 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.407 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -141.33 178.83 20.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -132.91 113.57 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.2 t-160 -81.73 -177.22 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -57.92 99.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.08 62.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 36.6 mtm -127.05 153.22 46.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -141.38 130.4 23.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -178.9 -158.81 22.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.94 171.08 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.01 132.51 13.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.8 Cg_endo -69.76 125.21 11.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 66.2 t60 -79.42 -8.45 59.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -93.71 -30.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.82 3.34 55.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.5 pp -128.21 139.09 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.8 m -111.38 115.52 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.77 152.91 89.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.709 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.65 33.73 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -47.9 109.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 117.36 40.92 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 66.3 p -45.67 171.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.92 105.33 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -119.07 -35.53 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . 0.436 ' N ' ' HG2' ' A' ' 808' ' ' LYS . 29.8 mt-30 51.33 45.65 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 65.4 t -111.6 101.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 34.3 m -43.97 146.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 132.62 151.24 6.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -168.0 116.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.1 m -130.95 110.95 11.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.808 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.1 t -118.97 146.17 45.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 96.05 135.13 8.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 27.3 m -155.81 136.33 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.5 m -108.16 44.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -156.27 85.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -127.7 141.73 51.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -162.12 126.96 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 43.9 t -136.22 134.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.14 135.93 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -99.9 127.94 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.17 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.04 135.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.42 132.97 44.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 4.4 t -91.92 -36.75 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -137.08 147.5 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.24 126.9 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -122.12 154.75 36.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 759' ' ' GLY . 98.0 m -133.18 90.67 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.94 125.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.46 -43.92 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.3 p -129.47 171.7 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.07 -42.9 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.78 152.33 28.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 63.7 mt -108.27 161.85 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 50.7 p -125.84 116.57 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -130.37 158.59 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -95.77 150.46 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -44.21 129.72 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 82.83 11.83 80.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.01 117.7 25.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 98.4 t -71.73 145.15 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.31 167.41 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . 0.41 ' O ' ' CA ' ' A' ' 786' ' ' GLY . 54.6 mtt180 -118.22 123.87 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 47.6 mt -90.1 93.63 9.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.0 m170 -59.36 -46.63 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -155.06 160.5 41.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.564 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.5 tpt180 -88.82 91.72 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -51.26 -55.68 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.3 m -142.39 -175.5 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 43.5 t -75.71 -9.03 58.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.07 -27.18 3.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -110.05 152.21 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.564 ' CZ2' ' HD3' ' A' ' 778' ' ' ARG . 57.3 m95 -128.59 168.18 16.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 776' ' ' HIS . 72.6 mtt180 -117.99 115.14 24.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 774' ' ' ARG . . . -143.82 -174.36 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -137.15 123.7 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.7 t-160 -79.84 -177.22 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . 0.407 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 13.0 m120 -68.92 71.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 112.87 -10.57 25.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' MET . . . . . 0.415 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.7 mmm -118.4 162.37 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . 0.409 ' C ' HD23 ' A' ' 765' ' ' LEU . 67.6 mtp180 -140.99 138.65 33.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.2 -168.41 41.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.07 176.53 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 51.7 mt -148.2 131.77 8.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 111.137 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.9 Cg_endo -69.78 128.67 16.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 9.0 t60 -78.96 -15.44 58.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -84.44 -32.78 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -96.5 22.71 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.5 pp -147.01 144.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.6 m -111.84 103.33 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.438 HD12 ' CE1' ' A' ' 797' ' ' HIS . 80.9 mt -60.28 151.38 68.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 172.62 12.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -38.76 -58.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . -63.31 97.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.411 HG23 ' CB ' ' A' ' 802' ' ' LEU . 35.4 p -138.58 146.04 41.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.126 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -98.93 87.64 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -148.51 160.01 43.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -98.74 133.8 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 6.3 t 66.35 51.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 9.0 p -46.46 141.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 813' ' ' ALA . . . -77.19 124.96 7.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 812' ' ' GLY . . . -34.52 119.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 3.9 m -158.94 134.95 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.1 m -135.47 171.79 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -71.63 -178.29 29.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 32.8 m -98.11 160.43 14.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 50.8 m -99.13 109.33 22.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -140.67 -156.51 6.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -106.06 40.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 107.26 163.87 21.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . 0.427 ' CG1' ' HD2' ' A' ' 774' ' ' ARG . 33.9 t -111.66 139.38 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.39 117.96 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -98.54 122.99 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.56 161.23 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.19 136.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 767' ' ' PHE . . . -64.25 103.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 12.3 t -67.79 -27.98 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 43.7 m-85 -149.1 151.45 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.98 127.68 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -127.63 153.99 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 90.3 m -129.46 99.43 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 134.9 3.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -80.04 -35.52 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 63.2 p -134.06 160.91 36.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.39 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -48.35 -41.94 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.85 145.79 26.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 40.2 mt -93.45 177.73 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.1 p -139.41 112.48 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 753' ' ' ALA . 17.6 p90 -132.4 160.3 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -104.69 154.17 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -45.79 122.5 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 106.61 -31.9 7.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.49 115.53 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 773' ' ' LEU . 43.7 t -77.25 143.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 772' ' ' VAL . 0.3 OUTLIER -133.07 135.26 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . 0.427 ' HD2' ' CG1' ' A' ' 748' ' ' VAL . 2.8 ttt-85 -85.71 116.78 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.437 ' CD2' HD11 ' A' ' 795' ' ' ILE . 44.4 mt -85.58 96.25 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.51 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 9.1 m170 -49.69 -55.6 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 778' ' ' ARG . 6.3 tp10 -168.26 149.72 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 777' ' ' GLU . 5.6 tpt180 -50.99 121.81 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.421 ' CB ' ' HG2' ' A' ' 785' ' ' ARG . . . -92.09 -48.22 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.1 -174.98 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 1.5 t -63.73 -43.16 97.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.11 35.69 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -150.01 160.76 43.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.42 ' CE3' HD11 ' A' ' 775' ' ' LEU . 54.6 m95 -139.2 170.47 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 776' ' ' HIS . 5.4 mmt85 -113.79 127.42 56.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.51 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -154.61 177.92 31.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -137.77 120.19 15.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.1 t-160 -79.69 -177.03 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . 0.5 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 0.3 OUTLIER -66.8 72.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.64 27.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 31.3 mtm -112.4 162.57 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -147.03 137.53 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.34 -165.06 37.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.68 168.96 17.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.463 ' CG2' HG23 ' A' ' 800' ' ' ILE . 43.0 mt -136.41 132.53 18.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 111.099 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 121.63 8.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 34.5 t60 -74.31 -4.49 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -95.2 -28.66 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . 0.418 ' C ' HG22 ' A' ' 800' ' ' ILE . 7.6 m-85 -104.2 28.2 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.463 HG23 ' CG2' ' A' ' 795' ' ' ILE . 2.6 pp -148.75 137.24 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 53.1 m -108.98 103.66 12.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 75.4 mt -54.12 151.74 12.31 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.73 23.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -55.49 110.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 156.28 -63.82 0.32 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 31.4 p -45.27 -56.72 4.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -76.96 96.43 4.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -125.0 116.41 22.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.1 106.88 19.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 812' ' ' GLY . 15.1 t -81.24 98.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 812' ' ' GLY . 7.3 p -37.79 -31.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . 0.452 ' N ' HG13 ' A' ' 811' ' ' VAL . . . 124.62 -61.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 47.81 42.1 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.524 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 741' ' ' SER . 1.8 t -155.03 160.66 41.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 740' ' ' SER . 34.7 m -36.9 116.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 743' ' ' SER . . . 177.75 -147.02 7.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 742' ' ' GLY . 43.4 p -35.38 -60.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 10.9 t -75.42 136.26 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 89.7 -79.81 1.52 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -86.56 123.41 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 154.77 -119.01 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 749' ' ' VAL . 59.7 t -126.26 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . 0.415 ' N ' HG11 ' A' ' 748' ' ' VAL . 91.6 t -99.87 105.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.1 123.41 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -118.98 156.9 28.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.24 142.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -81.77 108.2 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.4 p -70.18 -23.01 62.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -147.99 150.53 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.64 133.96 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -126.17 158.08 36.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 96.1 m -136.14 105.24 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -53.11 128.89 38.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.71 -39.05 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 29.4 p -125.17 163.86 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -53.81 -47.96 70.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.79 153.26 38.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 39.0 mt -103.27 174.93 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 75.5 m -134.47 116.64 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -141.84 158.8 43.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -108.29 150.41 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -39.43 134.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 95.45 -28.5 11.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.64 115.27 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 61.2 t -74.15 156.9 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.95 130.59 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -77.14 119.41 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 46.2 mt -90.93 96.1 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 776' ' ' HIS . 7.4 m170 -58.69 -60.52 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -160.34 147.54 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.476 ' HD3' ' CE2' ' A' ' 784' ' ' TRP . 1.1 tpp85 -50.53 135.83 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -102.89 -42.28 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -144.56 173.89 11.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 77.9 p -50.0 -34.69 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -133.06 40.35 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -149.07 163.6 37.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.476 ' CE2' ' HD3' ' A' ' 778' ' ' ARG . 62.0 m95 -139.75 175.03 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -124.18 112.77 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.35 -178.05 15.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -132.77 120.9 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -79.76 -177.16 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.93 76.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 105.57 -10.23 45.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' MET . . . . . 0.453 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 37.0 mtm -116.39 162.26 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . 0.422 ' C ' HD22 ' A' ' 765' ' ' LEU . 77.4 mtm180 -144.7 132.95 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.46 -164.11 32.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.23 171.61 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.6 mt -141.63 131.32 12.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.85 8.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.463 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 46.6 t60 -76.48 -3.2 36.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -96.28 -26.45 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -101.96 31.68 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 9.9 pt -149.74 165.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 16.6 m -130.35 94.59 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 51.5 mt -55.35 154.25 12.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.31 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -162.84 161.29 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.84 20.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 19.0 p -91.57 -42.61 10.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 56.45 27.17 11.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -51.39 167.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -53.95 144.95 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.59 105.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.27 129.42 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -60.7 158.36 28.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -110.88 143.68 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 15.1 m -94.62 -46.97 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 75.2 m -120.34 129.61 54.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -124.21 -92.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 51.1 m -163.51 157.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 17.2 p -110.82 147.21 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -158.03 39.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.19 157.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 114.0 -75.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 749' ' ' VAL . 85.5 t -104.49 143.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . 0.452 HG11 ' N ' ' A' ' 750' ' ' GLU . 65.1 t -109.28 153.49 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . 0.452 ' N ' HG11 ' A' ' 749' ' ' VAL . 12.2 mt-10 -117.62 125.63 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.22 159.29 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.5 t -109.85 149.76 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . 0.421 ' HB3' ' CE1' ' A' ' 767' ' ' PHE . . . -85.72 109.9 18.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.03 -33.49 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -136.51 155.82 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -71.42 131.83 43.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -128.29 158.41 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 91.6 m -140.52 107.94 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -54.83 135.73 46.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -78.83 -41.75 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 71.4 p -123.2 173.17 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -52.3 -40.88 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -53.19 -45.47 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -79.93 156.13 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 73.5 mt -108.62 175.31 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 17.3 m -137.29 122.35 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.57 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 13.2 p90 -145.8 162.09 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 769' ' ' ARG . 44.8 ttt85 -108.72 157.7 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 768' ' ' ARG . 2.6 tmm_? -49.16 124.25 8.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.11 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.88 112.7 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 773' ' ' LEU . 22.4 t -70.58 144.08 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.453 ' N ' HG12 ' A' ' 772' ' ' VAL . 0.4 OUTLIER -135.9 133.33 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -82.71 120.83 26.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.48 94.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.51 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 14.9 m170 -53.48 -61.57 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 16.2 tt0 -161.78 152.71 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 7.2 tpp85 -52.24 131.99 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.425 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -101.7 -44.47 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.88 179.18 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 23.6 p -50.87 -43.63 59.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.24 41.65 3.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -148.4 163.86 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -137.67 -178.38 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 776' ' ' HIS . 72.4 mtt180 -131.57 113.46 13.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.51 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -140.74 -177.91 16.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.42 113.68 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.6 t-160 -79.86 -177.32 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -57.88 98.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.95 62.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 7.4 mtt -126.95 155.04 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -139.84 133.42 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.38 -168.36 40.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.5 mt -79.61 172.13 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.0 mt -138.56 131.17 16.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.707 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.89 13.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.83 -15.43 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -91.85 -1.38 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.99 31.39 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 7.9 pt -149.2 175.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 96.4 m -138.56 115.83 11.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.411 HD13 ' CG2' ' A' ' 806' ' ' THR . 16.4 mt -75.73 154.71 85.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.8 Cg_endo -69.78 146.31 59.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -35.72 -37.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . -77.76 71.9 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.411 ' CG2' HD13 ' A' ' 802' ' ' LEU . 97.2 m -136.68 127.22 26.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.734 0.302 . . . . 0.0 111.133 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -103.68 109.1 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 116.86 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.31 -60.78 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 34.7 m -121.33 145.38 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 812' ' ' GLY . 7.6 p -130.34 138.27 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 811' ' ' VAL . . . -119.76 -55.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.52 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.3 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 77.6 p -158.14 166.06 33.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 34.1 t -93.71 -48.93 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -104.13 128.68 9.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 27.6 p -89.2 42.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 89.4 p -123.98 92.56 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 44.12 -169.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -112.8 160.58 17.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -148.66 112.74 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 97.5 t -148.47 134.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 89.9 t -106.94 110.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.82 121.6 29.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.03 155.9 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.23 139.31 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.61 98.53 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.23 -36.89 83.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.22 150.46 51.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.57 127.59 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -126.02 149.88 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 759' ' ' GLY . 86.9 m -126.69 91.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.44 138.54 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 1.6 mpt_? -82.2 -32.75 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 73.8 p -144.14 178.14 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.06 -54.15 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -42.08 -41.84 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.72 148.64 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 41.0 mt -102.75 169.69 8.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 89.9 p -129.51 124.02 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -147.44 157.17 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -104.53 143.77 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -37.37 128.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 104.72 -35.57 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.07 111.68 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.72 144.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.42 137.21 45.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -81.55 125.92 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 795' ' ' ILE . 48.3 mt -95.99 94.26 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.498 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 9.1 m170 -53.01 -60.45 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -162.04 147.81 13.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -45.59 134.91 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.413 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -104.22 -42.74 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.72 -175.07 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 22.7 t -54.57 -51.33 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.28 40.14 3.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -148.94 160.35 43.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.417 ' CZ2' HD12 ' A' ' 802' ' ' LEU . 56.7 m95 -138.43 -178.57 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.413 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 28.9 mtt180 -129.82 115.3 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -143.61 -177.62 18.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -133.72 121.85 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.495 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.6 t-160 -79.77 -177.1 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . 0.495 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 65.4 t30 -67.13 73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.84 -11.02 34.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' MET . . . . . 0.452 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 30.6 mtm -115.45 161.39 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -143.18 136.73 28.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.48 -163.76 34.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 9.7 mt -82.96 176.93 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.435 HD12 ' CD2' ' A' ' 775' ' ' LEU . 48.9 mt -144.74 131.01 9.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.87 5.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.0 t60 -68.71 -21.52 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -78.36 -38.61 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . 0.419 ' O ' ' CG2' ' A' ' 800' ' ' ILE . 13.7 m-85 -90.72 42.72 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 799' ' ' TYR . 21.1 pt -157.76 165.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 80.0 m -134.51 102.88 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.417 HD12 ' CZ2' ' A' ' 784' ' ' TRP . 68.1 mt -67.27 151.8 96.78 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 804' ' ' ALA . 54.0 Cg_endo -69.72 155.5 65.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -34.82 137.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 122.2 -45.11 1.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 12.0 t -53.86 144.92 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.137 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -123.34 41.32 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . 0.499 ' HG2' ' CE1' ' A' ' 797' ' ' HIS . 17.2 tptt -101.59 -55.37 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.27 84.42 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.04 -59.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.48 146.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 157.16 137.45 2.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -99.1 158.85 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 8.5 t -124.33 134.73 53.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.9 t -92.53 -50.84 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 144.6 -169.04 26.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 28.6 p -98.25 42.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.2 t -134.04 144.02 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 148.51 -52.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -41.73 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 126.08 148.7 7.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . 0.42 ' CG1' ' HB3' ' A' ' 774' ' ' ARG . 91.6 t -102.51 137.1 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.118 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.7 t -118.27 143.0 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.97 119.06 37.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -121.27 147.92 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.43 136.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 767' ' ' PHE . . . -77.11 112.04 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.53 -39.01 86.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.8 162.84 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.75 126.43 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -117.28 153.23 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 759' ' ' GLY . 85.2 m -126.92 89.79 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.57 129.8 0.76 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -71.66 -41.72 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.6 p -134.07 172.15 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.83 -44.46 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -50.88 -43.63 59.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.93 147.08 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 57.5 mt -102.54 172.53 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 69.7 p -133.6 154.01 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' A' ' 773' ' ' LEU . 8.9 p90 -171.72 169.78 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 -113.77 149.77 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -42.0 128.25 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.05 -35.96 4.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.17 112.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 42.5 t -70.08 144.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' A' ' 767' ' ' PHE . 0.3 OUTLIER -133.14 133.39 42.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . 0.42 ' HB3' ' CG1' ' A' ' 748' ' ' VAL . 87.2 mtt180 -83.04 125.0 30.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.411 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 56.9 mt -94.63 86.88 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -50.76 -48.25 59.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -153.8 177.79 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.459 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.3 tpt180 -96.39 86.89 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.401 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -46.92 -54.18 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.2 t -148.2 -177.09 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.2 t -72.5 -20.3 61.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.8 -19.9 9.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -115.52 157.56 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.459 ' CZ2' ' HD3' ' A' ' 778' ' ' ARG . 48.0 m95 -132.12 166.76 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.401 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 48.1 mtp180 -109.12 122.15 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.68 172.37 28.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -137.62 111.66 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -85.12 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -52.92 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.28 79.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 14.2 mtp -127.05 147.22 50.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -143.24 121.27 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -175.71 -155.03 12.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 13.9 mt -87.5 177.96 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mt -150.09 132.5 8.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.685 0.755 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.4 Cg_endo -69.81 124.46 11.09 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.42 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 29.7 t60 -77.05 -14.44 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -85.75 -32.09 22.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.2 18.58 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.7 pp -144.35 153.58 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.2 m -123.31 121.92 37.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.411 ' CD2' ' CD1' ' A' ' 775' ' ' LEU . 90.5 mt -80.11 152.75 74.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.6 Cg_endo -69.81 176.51 6.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -35.9 119.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 114.22 49.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 68.7 p -96.73 40.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.43 175.94 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -110.18 154.52 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 67.94 42.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.75 142.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 93.2 t -48.53 -48.62 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 167.52 -164.18 37.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -49.56 -60.81 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 741' ' ' SER . 82.8 p -120.98 -44.14 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 740' ' ' SER . 54.0 p -37.63 -44.43 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -79.04 -136.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 57.5 m -94.72 104.5 16.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 4.7 t -116.55 100.1 7.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 150.0 64.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.47 37.57 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -161.04 -65.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 92.5 t -131.85 144.23 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.45 108.06 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.67 136.71 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -127.55 154.97 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 86.6 t -101.64 131.67 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 767' ' ' PHE . . . -66.42 104.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 799' ' ' TYR . 2.0 t -59.98 -48.47 81.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.94 149.58 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.1 134.66 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.02 156.22 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -133.36 95.01 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.53 127.63 2.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -73.3 -42.31 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.3 p -127.38 170.33 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.46 -36.69 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -55.42 -45.69 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 764' ' ' GLU . 0.2 OUTLIER -81.48 162.91 23.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 39.9 mt -115.04 176.49 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' SER . . . . . 0.512 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 5.1 t -136.22 147.17 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 753' ' ' ALA . 13.2 p90 -169.57 159.4 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 769' ' ' ARG . 31.2 mtp180 -104.5 141.5 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 768' ' ' ARG . 73.4 ttt180 -35.16 124.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 109.1 -37.52 3.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.49 113.9 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 57.2 t -74.56 140.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.39 131.03 48.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -77.34 125.25 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.563 HD13 ' CE3' ' A' ' 784' ' ' TRP . 64.0 mt -89.33 94.99 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 785' ' ' ARG . 13.9 m170 -57.69 -56.72 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.01 159.64 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 6.9 tpp180 -73.39 80.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.449 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -43.45 -61.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 7.8 t -136.77 -175.01 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.0 t -78.34 -16.48 57.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -123.01 -17.83 6.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -116.28 161.38 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.601 ' CZ2' ' CZ ' ' A' ' 778' ' ' ARG . 46.4 m95 -130.6 171.41 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.449 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 17.1 mtt-85 -119.43 114.67 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.17 -179.77 18.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -134.64 112.38 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.5 t-160 -79.82 -176.89 5.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -55.3 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.86 12.37 67.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.4 mmm -127.2 153.21 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -138.33 132.7 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.96 -158.67 23.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 19.8 mt -86.44 177.53 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.452 ' CG2' HG23 ' A' ' 800' ' ' ILE . 53.9 mt -148.61 132.49 8.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.401 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.82 125.17 11.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 38.3 t60 -78.51 -3.39 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -95.65 -30.67 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 754' ' ' CYS . 2.6 m-85 -97.51 10.82 38.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.452 HG23 ' CG2' ' A' ' 795' ' ' ILE . 2.7 pp -133.02 132.96 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 69.8 m -103.1 115.85 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.436 HD13 ' CZ2' ' A' ' 784' ' ' TRP . 24.8 mt -70.04 156.28 92.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.43 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -162.59 172.63 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 58.88 34.24 77.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 5.0 t -122.28 -17.58 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.199 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.14 144.38 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -117.37 93.07 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 810' ' ' VAL . 0.0 OUTLIER -93.79 141.69 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . 0.464 ' N ' ' OE1' ' A' ' 809' ' ' GLN . 93.8 t -35.86 -55.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . 0.461 ' H ' ' NE2' ' A' ' 809' ' ' GLN . 12.7 p -120.71 142.35 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . 0.445 ' N ' HG21 ' A' ' 811' ' ' VAL . . . 163.15 -160.63 33.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -84.47 178.2 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 47.0 t -97.56 118.55 34.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 27.8 p -101.43 124.57 47.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -176.08 98.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 72.8 m -101.96 81.39 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 2.5 t 42.78 42.24 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . 0.446 ' O ' ' CD ' ' A' ' 746' ' ' GLU . . . -173.7 41.21 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 745' ' ' GLY . 14.9 mp0 -146.32 132.05 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -152.17 161.75 29.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 93.3 t -136.23 144.17 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 97.5 t -134.41 130.8 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -93.93 138.94 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -132.36 157.68 43.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.73 140.26 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.69 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.1 t -73.89 -44.9 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -130.19 145.23 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.16 118.55 7.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -113.93 151.94 31.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.9 m -131.42 98.85 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.24 131.93 10.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -69.88 -40.1 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 68.0 p -139.14 -179.09 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -49.02 -46.66 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -48.85 -37.18 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -98.34 144.72 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 792' ' ' ARG . 26.9 mt -94.53 -179.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 6.0 m -141.6 126.3 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -150.92 158.68 44.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -103.93 147.17 27.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -39.71 127.66 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.81 -32.85 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.38 114.83 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 51.0 t -75.49 148.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.4 135.36 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -81.49 129.07 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 21.7 mt -93.42 96.96 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.8 m170 -56.5 -54.3 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -165.91 157.58 14.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -61.81 128.03 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.447 ' CB ' ' CD2' ' A' ' 794' ' ' LEU . . . -96.64 -42.62 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -148.39 -177.01 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.0 t -66.05 -28.89 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.93 35.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -148.85 174.74 11.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.512 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 70.5 m95 -150.24 174.6 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 776' ' ' HIS . 58.4 mtt180 -124.9 113.24 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -142.0 176.61 21.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.4 t-160 -79.73 -177.09 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -66.93 73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.3 -11.19 36.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 13.3 mmm -115.16 161.53 18.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . 0.407 ' C ' HD22 ' A' ' 765' ' ' LEU . 58.8 mtp180 -143.28 135.87 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 175.51 -163.57 33.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.447 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 10.4 mt -81.29 -179.86 7.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 52.4 mt -150.55 130.23 6.62 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.96 10.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 17.1 t60 -74.81 -10.09 59.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 799' ' ' TYR . 2.7 tmtm? -86.6 -38.13 17.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 798' ' ' LYS . 3.1 m-85 -90.31 37.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.412 HG21 ' C ' ' A' ' 799' ' ' TYR . 17.4 pt -152.18 164.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 28.1 m -133.75 93.63 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.512 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 58.8 mt -57.29 155.42 18.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -63.82 95.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 175.35 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 807' ' ' GLU . 10.0 t -78.25 45.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 111.114 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 806' ' ' THR . 16.0 tt0 35.69 42.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -120.29 161.35 21.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -94.49 96.94 9.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 30.9 m -48.89 153.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 3.3 p -73.07 -9.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 159.77 -131.26 2.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -86.86 135.9 33.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.424 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 36.9 m -136.11 118.0 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 89.2 p -81.98 105.36 13.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -129.26 119.66 3.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 46.0 m -94.46 103.71 15.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 6.0 t -148.4 149.26 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -99.46 79.43 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -140.38 164.55 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 69.86 -94.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 89.7 t -104.57 135.29 43.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.05 122.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.4 124.02 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.75 160.18 20.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.31 144.0 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . 0.497 ' HB3' ' CE1' ' A' ' 767' ' ' PHE . . . -80.3 95.19 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.8 t -51.37 -42.44 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -137.11 155.52 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.58 136.3 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -132.2 153.38 50.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 759' ' ' GLY . 99.9 m -130.17 90.85 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.01 133.17 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -78.56 -39.1 38.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 75.0 p -130.46 169.36 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.92 -46.96 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.43 -49.33 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.98 155.27 32.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 56.4 mt -107.51 173.22 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 28.5 p -132.62 135.46 45.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.561 ' CE2' HD13 ' A' ' 773' ' ' LEU . 10.4 p90 -158.22 160.22 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 769' ' ' ARG . 45.9 mtp180 -104.9 141.29 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 768' ' ' ARG . 25.3 ttt180 -34.32 126.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 103.24 -37.05 3.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.85 113.2 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.95 149.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.561 HD13 ' CE2' ' A' ' 767' ' ' PHE . 0.5 OUTLIER -138.62 130.08 27.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -79.63 121.95 25.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.556 HD12 ' CE3' ' A' ' 784' ' ' TRP . 60.8 mt -85.19 89.92 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.7 m170 -57.3 -40.35 77.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -157.38 167.48 30.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.565 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 4.8 tpt180 -104.35 86.11 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -46.34 -56.58 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 72.4 p -147.74 178.64 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 40.5 t -72.77 -12.78 61.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -112.59 -27.62 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.36 159.25 24.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.565 ' CH2' ' HD3' ' A' ' 778' ' ' ARG . 61.5 m95 -130.64 177.67 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 776' ' ' HIS . 64.4 mtt180 -128.19 116.07 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.76 177.52 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . 0.403 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.2 tt0 -131.36 112.54 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.76 -176.75 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.48 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.58 69.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.1 mtt -127.27 152.74 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -138.29 130.07 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -177.4 -164.85 31.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.57 -178.86 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 32.3 mt -152.93 132.67 7.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.93 12.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 14.1 t60 -77.29 -19.83 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -86.64 -33.27 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . 0.421 ' C ' HG23 ' A' ' 800' ' ' ILE . 4.0 m-85 -92.08 32.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.421 HG23 ' C ' ' A' ' 799' ' ' TYR . 19.4 pt -146.18 161.42 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 40.4 m -125.82 101.03 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 806' ' ' THR . 94.5 mt -67.69 151.78 96.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 163.64 37.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.616 2.211 . . . . 0.0 112.376 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -37.43 143.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 95.89 -111.9 4.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.427 ' CG2' ' HB3' ' A' ' 802' ' ' LEU . 58.5 p 42.19 40.77 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.138 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.23 -45.08 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.0 135.33 7.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . 0.448 ' O ' ' CD ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -133.45 42.08 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 90.3 t -92.61 116.04 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.71 39.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -152.14 133.92 4.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -43.67 -55.67 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 53.4 p -153.07 160.38 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 15.0 t -148.51 127.99 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -92.04 -110.29 1.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 89.0 p -155.44 145.43 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 22.1 m -98.96 42.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -81.88 147.93 26.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -166.69 149.51 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 124.76 135.83 4.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 89.3 t -128.44 142.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.08 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 129.53 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.12 37.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.38 141.04 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.24 105.06 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 5.8 p -64.04 -35.99 82.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -129.27 168.75 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.7 121.9 34.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.92 150.26 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 759' ' ' GLY . 88.6 m -126.11 87.68 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.36 139.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -87.68 -28.95 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 24.4 p -139.91 178.43 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.19 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 764' ' ' GLU . 20.9 pt20 -40.92 -45.92 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 763' ' ' GLN . 73.9 mt-10 -78.23 147.39 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.61 170.71 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 54.7 p -131.92 120.18 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' A' ' 773' ' ' LEU . 3.1 p90 -146.19 156.6 43.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -103.15 154.66 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -44.56 129.48 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.66 -33.13 6.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.23 111.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.43 150.78 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.424 ' CD1' ' CE2' ' A' ' 767' ' ' PHE . 0.7 OUTLIER -141.75 131.23 23.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -80.8 114.79 19.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.36 99.29 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.404 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 13.8 m170 -59.7 -61.49 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -161.13 150.9 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -50.13 129.67 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -96.75 -45.14 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 m -146.99 -175.02 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 92.6 p -55.73 -40.68 72.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.13 42.98 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -148.95 166.54 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -141.42 170.2 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.446 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 80.8 mtt180 -120.55 110.52 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -137.1 -176.93 14.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.85 113.79 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 3.0 t-160 -79.87 -177.17 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -57.57 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.92 9.63 63.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 28.7 mtm -127.12 153.59 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -138.02 136.28 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.13 -167.46 39.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.437 ' CD2' ' HB2' ' A' ' 779' ' ' ALA . 7.8 mt -80.89 178.13 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mt -144.7 130.12 9.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 32.4 t60 -74.8 0.64 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -100.43 -25.66 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -102.05 28.3 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 14.7 pt -142.13 167.36 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.0 m -134.87 96.08 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.61 157.38 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.92 11.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 806' ' ' THR . . . -58.43 -49.9 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 804' ' ' ALA . . . -35.15 -32.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 804' ' ' ALA . 93.2 m -62.37 96.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -77.92 129.41 35.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -101.11 40.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -61.1 -37.37 82.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 95.7 t -136.94 107.14 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.43 125.51 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -80.65 173.68 54.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -138.8 153.93 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 27.6 m -81.34 103.78 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 20.4 t -77.53 143.09 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -178.15 -108.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 81.6 p -44.49 -24.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 11.6 t -83.27 86.22 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -121.91 93.53 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -121.27 -41.59 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -42.11 115.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.02 135.48 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 99.7 t -114.12 116.44 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -79.52 129.0 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -121.66 159.71 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.96 145.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . 0.49 ' HB1' ' CD1' ' A' ' 767' ' ' PHE . . . -89.63 100.68 13.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 15.4 p -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.04 174.68 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.83 127.8 38.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -117.58 157.61 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.9 m -134.09 96.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.15 131.01 10.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -76.76 -42.45 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 45.0 p -128.39 165.63 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.97 -46.16 8.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -48.66 -48.27 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.76 149.81 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 65.8 mt -103.99 178.06 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 29.4 p -142.86 138.48 30.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.49 ' CD1' ' HB1' ' A' ' 753' ' ' ALA . 15.0 p90 -156.83 158.96 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -98.16 161.53 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 769' ' ' ARG . 19.1 ttp-105 -53.96 124.89 16.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.5 -33.45 6.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.63 112.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.87 144.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.52 132.31 40.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -79.95 113.27 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 26.9 mt -86.49 92.08 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 785' ' ' ARG . 10.9 m170 -52.21 -63.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.42 158.87 38.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -63.19 107.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -70.35 -53.3 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.2 t -166.26 -175.04 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 3.8 m -61.78 123.46 18.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.0 26.48 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -150.12 147.27 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.559 ' CH2' HD21 ' A' ' 802' ' ' LEU . 55.5 m95 -132.57 177.03 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 20.9 mtp180 -123.76 113.94 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.04 -176.04 15.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -137.58 111.09 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -80.43 -176.59 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.38 93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.56 71.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.6 mtp -127.38 147.53 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -136.45 134.21 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.13 -164.31 37.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.01 173.24 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 96.0 mt -145.44 133.81 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.461 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 84.4 t60 -69.04 -20.86 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -76.32 -36.7 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -93.49 36.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -159.03 157.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -134.61 102.92 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.559 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.3 mp -51.27 157.9 1.48 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -57.82 92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 138.86 79.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 71.1 p -110.09 -49.98 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -140.22 157.6 45.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -76.98 54.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -124.97 77.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 33.9 m -137.71 168.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.19 111.88 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -67.89 -179.3 15.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -147.84 127.89 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 14.7 t -103.62 86.33 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.5 m -162.75 124.65 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -99.01 134.13 11.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 62.6 m -77.3 171.12 15.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 39.8 t -91.51 132.18 36.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 144.57 153.55 5.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.27 -52.57 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 139.11 -115.47 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 774' ' ' ARG . 65.3 t -133.87 138.63 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 750' ' ' GLU . 77.6 t -111.33 147.37 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 749' ' ' VAL . 19.0 mt-10 -118.49 128.84 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -114.81 141.67 47.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.9 132.24 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.12 105.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.7 t -63.97 -41.13 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -140.5 170.95 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.68 125.06 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -125.2 159.96 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.1 m -135.44 104.96 6.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.37 126.47 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -69.83 -35.43 74.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 53.9 p -140.94 171.62 13.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.57 -32.93 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . 0.464 ' CG ' HD11 ' A' ' 794' ' ' LEU . 6.0 tt0 -64.66 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.86 154.84 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 57.3 mt -105.57 164.88 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 12.1 t -129.21 149.88 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.573 ' CD2' HD13 ' A' ' 773' ' ' LEU . 13.3 p90 -168.78 169.14 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 33.8 mtt180 -115.79 139.58 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 47.6 ttp180 -34.42 126.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.32 -36.76 4.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -68.05 113.89 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.83 156.81 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 767' ' ' PHE . 0.5 OUTLIER -145.52 126.8 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . 0.458 ' HG2' ' CG1' ' A' ' 748' ' ' VAL . 7.7 ttm180 -58.86 151.06 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 44.6 mt -122.06 85.6 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.467 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.7 m170 -52.7 -66.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 24.1 tt0 -158.47 148.57 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 6.1 tpt180 -53.35 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 785' ' ' ARG . . . -67.42 -53.43 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -137.89 -175.31 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.4 t -61.52 -39.04 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.29 37.76 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -150.07 160.15 43.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.521 ' CZ2' HD13 ' A' ' 802' ' ' LEU . 65.6 m95 -135.7 164.01 28.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 11.4 mtt180 -115.22 115.75 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -143.45 -176.07 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.83 113.1 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -82.72 -176.69 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -52.09 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.05 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 4.9 mmm -127.32 150.74 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -139.51 132.51 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.76 -161.73 32.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.464 HD11 ' CG ' ' A' ' 763' ' ' GLN . 16.4 mt -83.88 174.31 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 94.3 mt -147.52 134.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 123.69 10.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.442 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 38.9 t60 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -83.89 -37.04 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -93.15 28.4 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.434 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -151.04 135.6 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.0 m -108.41 109.35 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.521 HD13 ' CZ2' ' A' ' 784' ' ' TRP . 86.3 mt -63.59 151.01 89.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.97 15.3 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -59.91 142.69 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.23 55.46 2.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 41.7 p -97.85 -39.68 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.724 0.297 . . . . 0.0 111.1 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 808' ' ' LYS . 14.8 tp10 -80.29 155.27 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 807' ' ' GLU . 83.4 mttt -34.7 -55.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . 0.5 ' CD ' ' N ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -152.64 117.89 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.92 172.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.06 120.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 86.86 153.12 23.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -138.6 156.01 47.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 2.8 t -159.85 160.16 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.832 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 1.6 t -148.76 151.37 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -123.2 79.3 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 35.6 m -38.93 132.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -133.64 137.67 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -111.67 -175.4 19.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -128.01 113.17 15.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.61 17.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 95.2 t -96.0 133.03 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 67.9 t -98.12 139.61 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -100.71 122.51 43.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.33 145.38 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.63 133.07 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.62 108.75 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.62 -42.11 95.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.81 143.88 35.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.06 120.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -117.65 149.89 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 89.6 m -125.73 90.8 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.65 130.42 0.56 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -72.76 -43.83 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 66.7 p -128.01 169.59 13.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.36 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -50.08 -46.26 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . 0.412 ' CD ' ' N ' ' A' ' 764' ' ' GLU . 0.1 OUTLIER -82.86 148.13 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 58.0 mt -98.06 173.19 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 55.9 m -136.2 122.74 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.405 ' CE2' ' CD1' ' A' ' 773' ' ' LEU . 11.0 p90 -141.46 154.16 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -91.04 150.06 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -42.66 123.73 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 99.95 -33.91 5.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -52.22 113.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 773' ' ' LEU . 78.0 t -69.41 155.06 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.458 ' N ' HG12 ' A' ' 772' ' ' VAL . 2.7 mt -144.05 135.49 25.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -79.32 121.76 25.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.42 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 47.6 mt -91.81 98.65 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.475 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.9 m170 -63.91 -51.01 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -47.8 136.48 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.445 ' HB3' ' CA ' ' A' ' 784' ' ' TRP . . . -102.69 -40.73 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.1 t -159.69 -175.17 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 80.3 p -53.87 -36.52 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.96 41.79 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -150.39 158.25 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.445 ' CA ' ' HB3' ' A' ' 779' ' ' ALA . 60.1 m95 -135.42 167.27 21.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 779' ' ' ALA . 60.2 mtt85 -115.89 108.54 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.475 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -138.9 -172.87 12.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -137.58 121.37 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -79.44 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.95 72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.23 -16.09 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 4.5 mtt -109.58 159.76 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -144.06 129.2 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.59 -155.74 17.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.94 175.12 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.93 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 89.0 mt -145.24 134.0 11.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.454 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.9 Cg_endo -69.77 121.89 8.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 8.2 t60 -72.16 -22.28 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.98 -38.07 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -91.07 27.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.454 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.7 pp -151.71 135.06 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.5 m -105.25 110.34 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.42 ' CD2' ' CD1' ' A' ' 775' ' ' LEU . 24.6 mt -73.37 152.68 90.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.9 Cg_endo -69.73 175.07 8.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -36.88 131.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 127.01 -38.79 2.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 7.0 t -70.35 163.93 25.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.98 134.41 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -84.03 42.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -41.55 -49.85 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.73 152.07 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.31 -61.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 115.66 -151.33 18.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 49.01 41.66 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 9.6 t -92.86 92.64 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 m -68.65 89.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -92.68 83.9 1.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 4.8 t 60.37 41.84 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.1 m -59.9 139.91 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 122.54 -92.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -105.04 82.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -138.66 -170.4 11.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 62.0 t -112.44 143.2 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.36 132.89 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.21 116.56 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -112.62 152.8 28.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.93 150.32 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 767' ' ' PHE . . . -93.1 98.27 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 755' ' ' PHE . 29.3 p -61.25 -38.61 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . 0.5 ' CD2' ' SG ' ' A' ' 754' ' ' CYS . 59.5 m-85 -125.09 157.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -81.19 127.35 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -119.26 150.14 40.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.6 m -131.69 88.61 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 149.75 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -97.14 -35.49 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 12.2 p -119.69 178.72 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.63 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -53.02 -43.46 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.63 132.57 37.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 55.1 mt -91.06 176.77 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' SER . . . . . 0.423 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 50.8 p -139.55 127.87 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.513 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 9.7 p90 -150.05 156.61 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -99.97 156.32 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -46.75 126.61 8.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.56 -24.8 30.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.21 111.94 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 41.5 t -72.69 141.61 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 767' ' ' PHE . 0.6 OUTLIER -130.56 128.81 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -78.04 125.1 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.507 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 41.7 mt -91.73 88.7 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -58.9 -48.27 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.73 174.53 12.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.481 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 8.0 tpt180 -106.96 92.87 4.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -53.23 -54.78 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -144.68 -178.91 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 38.9 m -74.24 -11.97 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -118.23 -27.05 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -112.68 158.87 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.548 ' CZ2' HD12 ' A' ' 802' ' ' LEU . 50.8 m95 -133.94 165.46 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -111.57 109.28 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -139.54 178.6 19.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.3 137.2 52.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 1.8 t-160 -107.27 -177.03 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.48 95.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 11.44 66.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' MET . . . . . 0.429 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 22.2 mtp -127.16 158.92 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 792' ' ' ARG . 14.3 mtp-105 -147.14 128.99 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -179.19 -159.62 23.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 42.0 mt -78.76 -179.5 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -152.22 132.48 7.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.497 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.79 125.84 12.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 11.4 t60 -79.35 -16.16 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -87.79 -28.28 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -97.02 14.07 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.6 pp -140.71 153.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.1 m -121.11 116.34 24.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.548 HD12 ' CZ2' ' A' ' 784' ' ' TRP . 96.0 mt -72.98 152.89 90.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.32 16.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -72.07 79.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 149.71 62.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.468 ' CG2' HD13 ' A' ' 802' ' ' LEU . 24.1 m -116.17 40.08 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 111.116 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 806' ' ' THR . 15.2 pt-20 37.01 32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 806' ' ' THR . 8.8 tppt? -159.22 137.65 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 45.04 53.85 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.35 121.46 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.19 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -102.23 -109.41 3.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 51.33 43.96 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 91.2 p -67.42 113.53 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 49.7 m -144.99 112.47 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -153.37 56.49 0.43 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 83.0 p -57.04 162.22 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 3.4 m -96.94 121.11 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 129.12 124.31 2.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -161.17 115.22 2.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.9 26.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 93.2 t -134.13 138.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.1 t -105.58 125.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.51 121.96 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.67 157.9 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 753' ' ' ALA . 93.8 t -107.28 138.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . 0.523 ' HB3' ' CD1' ' A' ' 767' ' ' PHE . . . -75.42 104.71 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.5 -55.9 25.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.24 143.92 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.64 122.61 13.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.72 151.24 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -132.27 94.05 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.65 129.09 7.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -75.67 -40.16 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.7 p -125.58 168.43 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.85 -47.32 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -47.91 -49.52 29.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -79.67 135.12 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 34.7 mt -89.31 176.91 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 5.2 t -132.77 146.81 52.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' A' ' 753' ' ' ALA . 13.4 p90 -173.17 155.8 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 769' ' ' ARG . 2.4 mpt_? -106.16 144.92 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 768' ' ' ARG . 45.7 ttp85 -36.43 125.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 105.12 -37.85 3.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.0 115.46 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.68 147.14 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.09 126.14 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -78.39 115.5 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.479 HD13 ' CE3' ' A' ' 784' ' ' TRP . 32.4 mt -84.15 95.18 8.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.5 m170 -53.46 -47.66 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -160.73 170.49 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.598 ' CD ' ' CZ2' ' A' ' 784' ' ' TRP . 6.2 tpp85 -83.98 77.31 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -43.73 -61.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 34.7 t -141.53 173.67 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.9 p -65.0 -25.08 67.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.54 -28.97 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -106.31 158.22 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.598 ' CZ2' ' CD ' ' A' ' 778' ' ' ARG . 41.2 m95 -135.78 159.01 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 776' ' ' HIS . 1.4 mmm180 -101.72 120.25 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.84 173.86 27.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -142.63 111.0 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -85.89 -176.77 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -52.9 96.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.47 17.51 74.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 2.1 mtt -127.1 143.01 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -140.52 125.12 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 177.13 -160.31 27.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.82 178.59 7.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.2 mt -150.66 132.43 7.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.36 8.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 18.4 t60 -73.16 -6.24 44.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -90.21 -37.22 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.75 16.76 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.6 pp -139.7 139.02 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 74.5 m -111.67 109.61 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 806' ' ' THR . 75.2 mt -65.02 154.71 86.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.53 37.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -38.34 157.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 63.29 44.08 97.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 802' ' ' LEU . 1.0 OUTLIER -59.76 -43.52 94.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.14 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 808' ' ' LYS . 10.7 pt-20 -132.15 -39.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 807' ' ' GLU . 11.9 ttpp -73.13 143.43 47.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -119.2 173.84 6.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.23 145.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.09 137.34 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 84.13 -101.88 2.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -143.48 140.53 30.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 69.9 p -70.16 92.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.9 m -97.15 168.97 10.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 149.4 108.44 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 50.6 m -97.4 146.33 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.822 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.7 p -134.93 133.66 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 747' ' ' GLY . . . -151.75 -89.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 746' ' ' GLU . 0.0 OUTLIER 34.24 33.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.918 -179.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 745' ' ' GLY . . . -113.44 -138.88 7.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 749' ' ' VAL . 79.8 t -146.03 139.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . 0.401 ' N ' HG11 ' A' ' 748' ' ' VAL . 81.8 t -101.5 120.2 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -83.78 126.92 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.77 161.95 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 137.2 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.23 110.55 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 30.5 t -73.9 -31.13 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -137.96 159.64 41.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -80.01 129.65 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -122.01 152.58 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.6 m -132.31 93.28 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -45.9 124.57 7.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -76.58 -31.53 57.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 54.5 p -138.8 167.5 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.52 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -54.45 -40.67 68.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -94.34 135.17 36.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.01 -179.7 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 88.2 p -142.19 128.65 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 773' ' ' LEU . 7.2 p90 -154.48 166.53 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -109.5 151.33 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -43.77 127.08 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.99 -29.77 11.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -59.45 113.7 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 29.3 t -73.61 145.14 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 767' ' ' PHE . 0.4 OUTLIER -140.54 134.06 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -76.19 123.89 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 37.7 mt -90.81 90.51 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.547 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.1 m170 -53.59 -60.36 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.82 142.88 6.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -52.86 122.44 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.543 ' CB ' ' CD2' ' A' ' 794' ' ' LEU . . . -85.87 -47.15 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.9 m -135.52 -176.33 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 88.4 p -61.18 -32.22 71.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.13 40.56 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -148.41 169.8 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -144.32 172.03 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.416 ' HG3' ' CB ' ' A' ' 779' ' ' ALA . 60.5 mtt180 -125.67 110.87 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -139.13 -175.64 14.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -132.88 121.83 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -79.67 -176.99 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.1 70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 113.62 -13.29 22.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -115.36 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -146.84 136.22 22.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.49 -165.72 38.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.543 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 9.7 mt -74.43 168.97 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 88.4 mt -141.6 131.67 12.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.26 11.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.402 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 75.4 t60 -74.94 -30.69 61.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.05 1.91 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.7 34.6 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.402 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 6.9 pt -153.74 178.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 97.9 m -151.21 105.03 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 4.4 mp -59.99 157.84 28.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.2 Cg_endo -69.83 164.71 33.61 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -34.08 147.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 806' ' ' THR . . . 75.35 -109.86 2.9 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 805' ' ' GLY . 60.6 p 36.76 35.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 111.189 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -48.7 159.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 148.3 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.82 140.3 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 32.9 m -60.49 118.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.0 163.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -149.67 -109.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -117.92 104.03 10.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 55.3 m -44.35 -59.87 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.826 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 18.0 m -155.27 161.3 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 66.36 -165.59 39.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 25.4 m -145.8 160.78 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.6 m -128.94 89.23 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 88.66 -82.97 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 67.48 46.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 97.42 118.14 3.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 52.2 t -125.56 148.79 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 85.5 t -110.06 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.7 125.42 34.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -122.78 147.22 46.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.75 130.76 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.61 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . 0.554 ' SG ' ' CD2' ' A' ' 755' ' ' PHE . 23.6 p -61.23 -34.24 74.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . 0.554 ' CD2' ' SG ' ' A' ' 754' ' ' CYS . 15.2 m-85 -136.12 167.39 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -84.04 133.31 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -128.99 154.23 46.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 759' ' ' GLY . 80.3 m -128.01 94.57 3.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.65 128.87 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.553 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -69.95 -45.47 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.5 p -130.94 168.51 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.71 -43.39 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.33 -48.42 55.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.29 161.92 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . 0.41 HD22 ' C ' ' A' ' 792' ' ' ARG . 28.4 mt -109.41 162.15 14.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 35.7 p -125.6 128.56 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.564 ' CE2' HD13 ' A' ' 773' ' ' LEU . 1.1 p90 -155.54 166.09 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.25 157.66 21.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 769' ' ' ARG . 3.0 tmt_? -41.29 136.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 87.64 -26.4 7.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.41 111.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.77 141.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 767' ' ' PHE . 0.3 OUTLIER -136.49 136.53 39.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -88.69 123.93 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 26.9 mt -85.57 101.41 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.541 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 18.0 m170 -64.67 -49.93 69.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -155.36 159.44 39.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.491 ' HD3' ' CZ3' ' A' ' 784' ' ' TRP . 5.4 tpp85 -76.07 80.07 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.419 ' HB2' ' C ' ' A' ' 784' ' ' TRP . . . -43.83 -61.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.5 t -140.89 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 81.4 p -73.2 -22.32 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -119.44 -13.23 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -118.27 164.89 14.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 797' ' ' HIS . 71.0 m95 -138.33 164.51 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 776' ' ' HIS . 4.7 mmm180 -117.79 114.64 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . 0.541 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -152.26 -177.65 26.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -132.38 122.87 25.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.44 ' CE1' HD23 ' A' ' 773' ' ' LEU . 0.4 OUTLIER -79.72 -176.76 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -66.19 72.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 788' ' ' HIS . . . 110.53 -13.82 30.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' MET . . . . . 0.402 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 2.2 mmt -110.96 157.69 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . 0.41 ' C ' HD22 ' A' ' 765' ' ' LEU . 51.2 mtp180 -141.17 136.54 31.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 165.19 -161.97 35.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.0 mt -76.38 179.49 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 49.9 mt -150.52 128.94 5.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.144 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.65 5.81 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.4 t60 -69.76 -18.67 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.17 -33.69 50.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . 0.475 ' CD2' ' HB2' ' A' ' 755' ' ' PHE . 18.0 m-85 -95.77 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 799' ' ' TYR . 18.9 pt -159.79 153.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 51.5 m -121.98 90.99 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 33.7 mt -43.64 154.67 0.34 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -167.92 167.39 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 58.97 55.43 30.97 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 81.2 p -84.17 -53.14 5.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -149.09 159.46 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -90.7 85.65 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -119.05 156.9 28.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.99 100.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.55 -32.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 94.07 -130.55 10.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.32 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 54.7 p -78.08 142.18 38.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 33.6 p -110.13 105.11 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -157.08 -174.79 27.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 65.8 p -65.37 146.52 54.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.3 p -67.62 123.31 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -48.3 160.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -86.89 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 119.89 -83.62 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 57.3 t -155.37 148.01 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 803' ' ' PRO . 87.2 t -129.64 138.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.59 137.85 32.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -138.08 148.2 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.32 137.87 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -74.46 115.77 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 4.2 m -58.54 -46.98 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -136.12 174.34 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.01 122.03 25.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -115.28 149.93 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.3 m -129.02 93.29 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.05 130.14 6.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -72.6 -41.61 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 67.3 p -137.8 174.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.2 -54.52 5.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 794' ' ' LEU . 0.4 OUTLIER -38.66 -45.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.21 163.65 17.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 53.2 mt -116.14 165.21 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.5 p -126.34 126.83 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . 0.455 ' CE2' HD13 ' A' ' 773' ' ' LEU . 8.8 p90 -153.26 151.29 29.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 768' ' ' ARG . 0.3 OUTLIER -90.67 153.04 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.8 126.12 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.59 -35.13 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -52.09 112.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 63.4 t -67.05 153.61 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 767' ' ' PHE . 0.9 OUTLIER -141.88 144.93 34.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -91.72 113.07 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 48.4 mt -83.85 88.74 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.1 m170 -48.36 -60.81 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -164.12 148.16 9.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -45.22 131.08 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -101.94 -43.36 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -150.59 -174.96 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 36.6 p -57.09 -48.76 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.1 39.77 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -150.01 160.67 43.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.558 ' CZ2' HD13 ' A' ' 802' ' ' LEU . 59.0 m95 -138.79 175.13 9.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 776' ' ' HIS . 22.4 mtp180 -119.21 117.07 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -144.95 179.66 21.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.81 137.72 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -109.78 -176.86 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -54.05 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.77 13.1 68.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.4 mmt -127.17 156.53 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -148.96 134.05 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.51 -155.18 18.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.46 HD13 ' NE2' ' A' ' 763' ' ' GLN . 10.8 mt -86.48 174.67 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.86 130.99 11.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.451 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.2 Cg_endo -69.77 123.08 9.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 10.4 t60 -75.07 -13.37 60.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -86.87 -33.68 19.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.7 23.84 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -146.07 154.59 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.6 m -119.34 112.92 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.558 HD13 ' CZ2' ' A' ' 784' ' ' TRP . 71.9 mt -78.12 151.14 78.42 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . 0.466 ' HG3' ' CG1' ' A' ' 749' ' ' VAL . 53.9 Cg_endo -69.82 -176.28 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -69.39 108.61 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 161.81 -61.12 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 6.4 t -38.73 137.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 111.204 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -57.12 106.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -85.29 53.0 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -85.14 48.74 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.43 143.34 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.18 135.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 176.77 -117.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -60.07 125.97 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 5.9 t -105.37 43.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.914 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 87.0 p -81.15 43.44 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -176.46 -109.9 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 60.6 p -62.43 154.77 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 72.9 m -126.96 166.43 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 63.99 57.15 14.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.43 84.12 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' GLY . . . . . 0.401 ' C ' HG22 ' A' ' 748' ' ' VAL . . . -156.61 165.88 33.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 749' ' ' VAL . 88.2 t -141.4 142.77 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' VAL . . . . . 0.438 ' N ' HG11 ' A' ' 748' ' ' VAL . 83.9 t -107.24 130.51 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -100.87 120.72 40.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.5 164.0 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 91.4 t -108.33 150.76 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -86.33 106.55 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.93 -43.0 86.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -137.89 166.54 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -78.69 124.46 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -119.6 153.98 34.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 91.2 m -128.74 89.88 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.4 131.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 0.7 OUTLIER -72.92 -43.72 62.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 56.4 p -127.66 174.36 9.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.98 -43.55 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.14 -49.27 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.2 158.13 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 47.8 mt -114.1 162.65 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 8.0 t -124.35 148.11 47.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -168.89 159.83 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 3.8 mpt_? -102.96 142.1 34.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 2.7 tmm_? -34.45 129.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.81 -39.46 2.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.39 111.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.28 153.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 1.5 mt -140.88 126.18 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 -78.17 124.26 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.568 HD13 ' CE3' ' A' ' 784' ' ' TRP . 57.6 mt -89.88 87.22 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 785' ' ' ARG . 11.0 m170 -57.83 -44.19 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.19 162.76 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' ARG . . . . . 0.569 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 6.7 tpt180 -97.29 82.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -44.23 -60.35 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.3 t -141.83 178.08 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 69.8 m -69.21 -23.27 63.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.87 -21.77 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -115.95 155.04 28.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 778' ' ' ARG . 60.9 m95 -130.24 172.06 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 776' ' ' HIS . 61.9 mtt-85 -120.67 110.18 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.82 179.37 18.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -135.74 111.38 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.78 -176.94 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.68 98.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.81 11.03 65.47 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 33.7 mtm -127.13 150.47 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -139.78 129.93 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -178.61 -160.89 25.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.54 -179.93 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -151.13 132.77 7.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 128.52 16.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 24.2 t60 -81.52 -2.38 49.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -99.36 -30.25 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' TYR . . . . . 0.43 ' C ' HG21 ' A' ' 800' ' ' ILE . 2.6 m-85 -96.95 27.67 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' ILE . . . . . 0.43 HG21 ' C ' ' A' ' 799' ' ' TYR . 17.8 pt -141.01 158.21 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -127.89 101.97 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 806' ' ' THR . 64.4 mt -65.93 151.54 95.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -175.56 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.68 -46.08 3.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' THR . . . . . 0.472 ' CG2' HD11 ' A' ' 802' ' ' LEU . 9.1 t -60.74 -28.1 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.1 126.81 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 105.55 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -153.8 134.24 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 30.5 m -47.26 133.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' VAL . . . . . 0.429 HG23 ' CA ' ' A' ' 814' ' ' GLY . 13.7 p -151.53 142.52 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -89.24 87.9 1.49 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 59.28 47.38 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' GLY . . . . . 0.429 ' CA ' HG23 ' A' ' 811' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -85.71 119.08 25.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -117.95 151.02 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 98.6 t -103.6 135.27 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.35 101.7 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 754' ' ' CYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 1.9 t -56.66 -34.84 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 755' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 44.3 m-85 -148.07 153.58 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.57 124.75 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 757' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 758' ' ' THR . 38.5 t80 -121.99 158.62 28.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 757' ' ' TYR . 77.2 m -139.23 106.04 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -48.37 126.91 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -65.21 -40.97 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.0 p -131.73 173.23 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.3 -39.57 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.07 -47.88 74.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.15 161.49 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 43.9 mt -113.53 171.7 7.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' SER . . . . . 0.439 ' O ' ' ND1' ' A' ' 788' ' ' HIS . 22.7 t -132.21 151.4 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 767' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 7.1 p90 -174.71 156.52 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 768' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 769' ' ' ARG . 61.3 mtt-85 -100.97 140.8 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 768' ' ' ARG . 1.9 tmt_? -35.14 129.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 770' ' ' GLY . . . . . 0.441 ' N ' ' HD3' ' A' ' 769' ' ' ARG . . . 101.0 -29.28 12.86 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.74 114.19 4.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 50.1 t -70.32 151.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.01 133.19 26.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -78.49 121.14 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 36.8 mt -91.4 90.95 7.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -47.19 -61.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -168.1 146.69 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.631 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 9.4 tpp180 -38.99 141.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.797 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -117.5 -39.82 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.2 t -151.89 -175.05 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.5 t -60.68 -38.8 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.1 36.93 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -149.46 162.7 39.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.631 ' CZ2' ' CZ ' ' A' ' 778' ' ' ARG . 40.1 m95 -139.82 -179.02 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.797 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 23.0 mtt-85 -125.09 115.49 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.33 178.83 20.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -132.91 113.57 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 788' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.2 t-160 -81.73 -177.22 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -57.92 99.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.08 62.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 36.6 mtm -127.05 153.22 46.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -141.38 130.4 23.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -178.9 -158.81 22.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.94 171.08 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.01 132.51 13.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.8 Cg_endo -69.76 125.21 11.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 66.2 t60 -79.42 -8.45 59.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -93.71 -30.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.82 3.34 55.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.563 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.5 pp -128.21 139.09 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.8 m -111.38 115.52 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.77 152.91 89.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.709 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 50.4 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -99.9 127.94 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.17 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.04 135.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.42 132.97 44.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 4.4 t -91.92 -36.75 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -137.08 147.5 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.24 126.9 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -122.12 154.75 36.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 759' ' ' GLY . 98.0 m -133.18 90.67 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 759' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.94 125.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.46 -43.92 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.3 p -129.47 171.7 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.07 -42.9 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.78 152.33 28.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 63.7 mt -108.27 161.85 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 50.7 p -125.84 116.57 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -130.37 158.59 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -95.77 150.46 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -44.21 129.72 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 82.83 11.83 80.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.01 117.7 25.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 98.4 t -71.73 145.15 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.31 167.41 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 774' ' ' ARG . . . . . 0.41 ' O ' ' CA ' ' A' ' 786' ' ' GLY . 54.6 mtt180 -118.22 123.87 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.445 HD13 ' CE3' ' A' ' 784' ' ' TRP . 47.6 mt -90.1 93.63 9.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.0 m170 -59.36 -46.63 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -155.06 160.5 41.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.5 tpt180 -88.82 91.72 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.764 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -51.26 -55.68 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.3 m -142.39 -175.5 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 43.5 t -75.71 -9.03 58.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.07 -27.18 3.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -110.05 152.21 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 778' ' ' ARG . 57.3 m95 -128.59 168.18 16.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.764 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 72.6 mtt180 -117.99 115.14 24.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 786' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 774' ' ' ARG . . . -143.82 -174.36 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -137.15 123.7 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.84 -177.22 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.92 71.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 112.87 -10.57 25.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.435 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.7 mmm -118.4 162.37 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 792' ' ' ARG . . . . . 0.402 ' C ' HD21 ' A' ' 765' ' ' LEU . 67.6 mtp180 -140.99 138.65 33.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.2 -168.41 41.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.07 176.53 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 51.7 mt -148.2 131.77 8.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 111.137 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.9 Cg_endo -69.78 128.67 16.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 9.0 t60 -78.96 -15.44 58.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -84.44 -32.78 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -96.5 22.71 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.453 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.5 pp -147.01 144.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.6 m -111.84 103.33 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.517 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 80.9 mt -60.28 151.38 68.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.805 0.336 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -98.54 122.99 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.56 161.23 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 752' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 772' ' ' VAL . 99.7 t -107.19 136.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.25 103.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 754' ' ' CYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 12.3 t -67.79 -27.98 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 755' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 43.7 m-85 -149.1 151.45 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.98 127.68 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -127.63 153.99 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 90.3 m -129.46 99.43 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 134.9 3.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -80.04 -35.52 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 63.2 p -134.06 160.91 36.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.39 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -48.35 -41.94 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.85 145.79 26.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.676 HD21 ' CA ' ' A' ' 792' ' ' ARG . 40.2 mt -93.45 177.73 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.1 p -139.41 112.48 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -132.4 160.3 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -104.69 154.17 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -45.79 122.5 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 106.61 -31.9 7.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.49 115.53 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 772' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 752' ' ' VAL . 43.7 t -77.25 143.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.07 135.26 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -85.71 116.78 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 784' ' ' TRP . 44.4 mt -85.58 96.25 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.5 OUTLIER -49.69 -55.6 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 778' ' ' ARG . 6.3 tp10 -168.26 149.72 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 777' ' ' GLU . 5.6 tpt180 -50.99 121.81 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.89 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -92.09 -48.22 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.1 -174.98 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 1.5 t -63.73 -43.16 97.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.11 35.69 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -150.01 160.76 43.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.412 ' CD2' HD13 ' A' ' 775' ' ' LEU . 54.6 m95 -139.2 170.47 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.89 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 5.4 mmt85 -113.79 127.42 56.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -154.61 177.92 31.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -137.77 120.19 15.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.69 -177.03 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.8 72.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.64 27.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.417 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 31.3 mtm -112.4 162.57 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 792' ' ' ARG . . . . . 0.676 ' CA ' HD21 ' A' ' 765' ' ' LEU . 50.1 mtm180 -147.03 137.53 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.34 -165.06 37.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.68 168.96 17.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 43.0 mt -136.41 132.53 18.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 121.63 8.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 34.5 t60 -74.31 -4.49 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -95.2 -28.66 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -104.2 28.2 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.637 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.6 pp -148.75 137.24 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 53.1 m -108.98 103.66 12.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 75.4 mt -54.12 151.74 12.31 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.336 179.871 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.817 0.341 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.1 123.41 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -118.98 156.9 28.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.24 142.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -81.77 108.2 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.4 p -70.18 -23.01 62.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -147.99 150.53 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.64 133.96 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -126.17 158.08 36.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 96.1 m -136.14 105.24 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -53.11 128.89 38.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.71 -39.05 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 29.4 p -125.17 163.86 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -53.81 -47.96 70.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.79 153.26 38.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 39.0 mt -103.27 174.93 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 75.5 m -134.47 116.64 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -141.84 158.8 43.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -108.29 150.41 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -39.43 134.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 95.45 -28.5 11.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.64 115.27 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 772' ' ' VAL . . . . . 0.538 ' O ' HD23 ' A' ' 773' ' ' LEU . 61.2 t -74.15 156.9 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 773' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.5 OUTLIER -146.95 130.59 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -77.14 119.41 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.496 ' CD1' HD21 ' A' ' 802' ' ' LEU . 46.2 mt -90.93 96.1 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -60.52 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -160.34 147.54 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 784' ' ' TRP . 1.1 tpp85 -50.53 135.83 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.832 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -102.89 -42.28 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -144.56 173.89 11.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 77.9 p -50.0 -34.69 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -133.06 40.35 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -149.07 163.6 37.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.708 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 62.0 m95 -139.75 175.03 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.832 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 40.0 mtp180 -124.18 112.77 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.35 -178.05 15.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -132.77 120.9 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -79.76 -177.16 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.93 76.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 105.57 -10.23 45.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 37.0 mtm -116.39 162.26 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -144.7 132.95 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.46 -164.11 32.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.23 171.61 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.6 mt -141.63 131.32 12.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.85 8.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 46.6 t60 -76.48 -3.2 36.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -96.28 -26.45 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -101.96 31.68 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 9.9 pt -149.74 165.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 801' ' ' THR . 16.6 m -130.35 94.59 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.708 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 51.5 mt -55.35 154.25 12.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 749' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 750' ' ' GLU . 65.1 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 750' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 749' ' ' VAL . 12.2 mt-10 -117.62 125.63 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.22 159.29 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.5 t -109.85 149.76 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.72 109.9 18.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.03 -33.49 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -136.51 155.82 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -71.42 131.83 43.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -128.29 158.41 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 91.6 m -140.52 107.94 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -54.83 135.73 46.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -78.83 -41.75 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 71.4 p -123.2 173.17 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -52.3 -40.88 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -53.19 -45.47 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -79.93 156.13 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.461 HD21 ' C ' ' A' ' 792' ' ' ARG . 73.5 mt -108.62 175.31 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 17.3 m -137.29 122.35 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -145.8 162.09 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 768' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 769' ' ' ARG . 44.8 ttt85 -108.72 157.7 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 768' ' ' ARG . 2.6 tmm_? -49.16 124.25 8.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.11 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.88 112.7 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.58 144.08 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.9 133.33 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -82.71 120.83 26.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.48 94.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -53.48 -61.57 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 16.2 tt0 -161.78 152.71 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 7.2 tpp85 -52.24 131.99 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.895 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -101.7 -44.47 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.88 179.18 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 23.6 p -50.87 -43.63 59.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.24 41.65 3.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -148.4 163.86 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -137.67 -178.38 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.895 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 72.4 mtt180 -131.57 113.46 13.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -140.74 -177.91 16.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.42 113.68 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -177.32 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -57.88 98.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.95 62.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 7.4 mtt -126.95 155.04 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 792' ' ' ARG . . . . . 0.461 ' C ' HD21 ' A' ' 765' ' ' LEU . 62.0 mtt180 -139.84 133.42 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.38 -168.36 40.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.411 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 8.5 mt -79.61 172.13 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.0 mt -138.56 131.17 16.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.707 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.89 13.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 797' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.83 -15.43 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -91.85 -1.38 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.99 31.39 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 7.9 pt -149.2 175.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 96.4 m -138.56 115.83 11.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.73 154.71 85.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.82 121.6 29.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.03 155.9 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.23 139.31 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.61 98.53 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.23 -36.89 83.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.22 150.46 51.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.57 127.59 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -126.02 149.88 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 759' ' ' GLY . 86.9 m -126.69 91.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 759' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.44 138.54 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 1.6 mpt_? -82.2 -32.75 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 73.8 p -144.14 178.14 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.06 -54.15 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -42.08 -41.84 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.72 148.64 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 41.0 mt -102.75 169.69 8.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 89.9 p -129.51 124.02 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -147.44 157.17 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -104.53 143.77 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -37.37 128.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 104.72 -35.57 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.07 111.68 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.72 144.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.42 137.21 45.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -81.55 125.92 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 48.3 mt -95.99 94.26 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -53.01 -60.45 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -162.04 147.81 13.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -45.59 134.91 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.848 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -104.22 -42.74 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.72 -175.07 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 22.7 t -54.57 -51.33 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.28 40.14 3.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -148.94 160.35 43.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -138.43 -178.57 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.848 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 28.9 mtt180 -129.82 115.3 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.61 -177.62 18.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -133.72 121.85 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -177.1 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -67.13 73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.84 -11.02 34.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.467 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 30.6 mtm -115.45 161.39 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -143.18 136.73 28.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.48 -163.76 34.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.443 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 9.7 mt -82.96 176.93 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 48.9 mt -144.74 131.01 9.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.87 5.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.0 t60 -68.71 -21.52 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -78.36 -38.61 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 799' ' ' TYR . . . . . 0.419 ' O ' ' CG2' ' A' ' 800' ' ' ILE . 13.7 m-85 -90.72 42.72 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 799' ' ' TYR . 21.1 pt -157.76 165.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 80.0 m -134.51 102.88 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 68.1 mt -67.27 151.8 96.78 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.395 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.97 119.06 37.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -121.27 147.92 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.43 136.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -77.11 112.04 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.53 -39.01 86.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.8 162.84 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.75 126.43 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -117.28 153.23 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 759' ' ' GLY . 85.2 m -126.92 89.79 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 759' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.57 129.8 0.76 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -71.66 -41.72 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.6 p -134.07 172.15 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.83 -44.46 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -50.88 -43.63 59.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.93 147.08 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.455 HD11 ' H ' ' A' ' 793' ' ' GLY . 57.5 mt -102.54 172.53 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 69.7 p -133.6 154.01 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -171.72 169.78 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 -113.77 149.77 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -42.0 128.25 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.05 -35.96 4.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.17 112.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 42.5 t -70.08 144.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.14 133.39 42.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -83.04 125.0 30.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.444 HD13 ' CE3' ' A' ' 784' ' ' TRP . 56.9 mt -94.63 86.88 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -50.76 -48.25 59.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -153.8 177.79 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.474 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.3 tpt180 -96.39 86.89 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.89 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -46.92 -54.18 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.2 t -148.2 -177.09 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.2 t -72.5 -20.3 61.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.8 -19.9 9.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -115.52 157.56 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.546 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 48.0 m95 -132.12 166.76 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.89 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 48.1 mtp180 -109.12 122.15 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.68 172.37 28.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -137.62 111.66 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -85.12 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -52.92 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.28 79.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 14.2 mtp -127.05 147.22 50.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -143.24 121.27 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 793' ' ' GLY . . . . . 0.455 ' H ' HD11 ' A' ' 765' ' ' LEU . . . -175.71 -155.03 12.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 13.9 mt -87.5 177.96 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mt -150.09 132.5 8.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.685 0.755 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.4 Cg_endo -69.81 124.46 11.09 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.432 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 29.7 t60 -77.05 -14.44 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -85.75 -32.09 22.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.2 18.58 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 800' ' ' ILE . 2.7 pp -144.35 153.58 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.2 m -123.31 121.92 37.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.546 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 90.5 mt -80.11 152.75 74.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.778 0.323 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.67 136.71 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -127.55 154.97 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 86.6 t -101.64 131.67 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.42 104.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 754' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 799' ' ' TYR . 2.0 t -59.98 -48.47 81.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.94 149.58 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.1 134.66 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.02 156.22 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -133.36 95.01 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.53 127.63 2.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -73.3 -42.31 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.3 p -127.38 170.33 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.46 -36.69 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -55.42 -45.69 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.617 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.2 OUTLIER -81.48 162.91 23.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 39.9 mt -115.04 176.49 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' SER . . . . . 0.512 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 5.1 t -136.22 147.17 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -169.57 159.4 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 769' ' ' ARG . 31.2 mtp180 -104.5 141.5 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 768' ' ' ARG . 73.4 ttt180 -35.16 124.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 109.1 -37.52 3.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.49 113.9 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 57.2 t -74.56 140.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.39 131.03 48.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -77.34 125.25 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.665 HD13 ' CE3' ' A' ' 784' ' ' TRP . 64.0 mt -89.33 94.99 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 785' ' ' ARG . 13.9 m170 -57.69 -56.72 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.01 159.64 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 6.9 tpp180 -73.39 80.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.926 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -43.45 -61.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 7.8 t -136.77 -175.01 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.0 t -78.34 -16.48 57.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -123.01 -17.83 6.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -116.28 161.38 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.665 ' CE3' HD13 ' A' ' 775' ' ' LEU . 46.4 m95 -130.6 171.41 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.926 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 17.1 mtt-85 -119.43 114.67 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.17 -179.77 18.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -134.64 112.38 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 788' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.5 t-160 -79.82 -176.89 5.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -55.3 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.86 12.37 67.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.4 mmm -127.2 153.21 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -138.33 132.7 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.96 -158.67 23.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.617 HD12 ' OE1' ' A' ' 764' ' ' GLU . 19.8 mt -86.44 177.53 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 53.9 mt -148.61 132.49 8.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.401 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.82 125.17 11.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 38.3 t60 -78.51 -3.39 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -95.65 -30.67 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 799' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 754' ' ' CYS . 2.6 m-85 -97.51 10.82 38.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.707 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -133.02 132.96 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 69.8 m -103.1 115.85 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.434 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 24.8 mt -70.04 156.28 92.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -93.93 138.94 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -132.36 157.68 43.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.73 140.26 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.69 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.1 t -73.89 -44.9 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -130.19 145.23 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.16 118.55 7.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -113.93 151.94 31.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.9 m -131.42 98.85 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.24 131.93 10.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -69.88 -40.1 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 68.0 p -139.14 -179.09 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -49.02 -46.66 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -48.85 -37.18 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -98.34 144.72 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.53 -179.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 6.0 m -141.6 126.3 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -150.92 158.68 44.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -103.93 147.17 27.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -39.71 127.66 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.81 -32.85 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.38 114.83 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 51.0 t -75.49 148.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.4 135.36 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -81.49 129.07 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.423 HD13 ' CE3' ' A' ' 784' ' ' TRP . 21.7 mt -93.42 96.96 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -56.5 -54.3 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -165.91 157.58 14.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -61.81 128.03 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.849 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -96.64 -42.62 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -148.39 -177.01 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.0 t -66.05 -28.89 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.93 35.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -148.85 174.74 11.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 70.5 m95 -150.24 174.6 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.849 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 58.4 mtt180 -124.9 113.24 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -142.0 176.61 21.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 788' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.4 t-160 -79.73 -177.09 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -66.93 73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.3 -11.19 36.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 13.3 mmm -115.16 161.53 18.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -143.28 135.87 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 175.51 -163.57 33.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.447 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 10.4 mt -81.29 -179.86 7.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 52.4 mt -150.55 130.23 6.62 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.96 10.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 17.1 t60 -74.81 -10.09 59.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 798' ' ' LYS . . . . . 0.532 ' HD2' ' CE1' ' A' ' 799' ' ' TYR . 2.7 tmtm? -86.6 -38.13 17.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 799' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' A' ' 798' ' ' LYS . 3.1 m-85 -90.31 37.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 17.4 pt -152.18 164.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 28.1 m -133.75 93.63 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.525 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 58.8 mt -57.29 155.42 18.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.874 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.4 124.02 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.75 160.18 20.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.31 144.0 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -80.3 95.19 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.8 t -51.37 -42.44 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -137.11 155.52 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.58 136.3 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -132.2 153.38 50.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 759' ' ' GLY . 99.9 m -130.17 90.85 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 759' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.01 133.17 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -78.56 -39.1 38.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 75.0 p -130.46 169.36 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.92 -46.96 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.43 -49.33 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.98 155.27 32.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 56.4 mt -107.51 173.22 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 28.5 p -132.62 135.46 45.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -158.22 160.22 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 768' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 769' ' ' ARG . 45.9 mtp180 -104.9 141.29 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 768' ' ' ARG . 25.3 ttt180 -34.32 126.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 103.24 -37.05 3.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.85 113.2 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.95 149.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.62 130.08 27.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -79.63 121.95 25.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.569 HD13 ' CE3' ' A' ' 784' ' ' TRP . 60.8 mt -85.19 89.92 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.7 m170 -57.3 -40.35 77.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -157.38 167.48 30.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 4.8 tpt180 -104.35 86.11 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.676 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -46.34 -56.58 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 72.4 p -147.74 178.64 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 40.5 t -72.77 -12.78 61.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -112.59 -27.62 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.36 159.25 24.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 778' ' ' ARG . 61.5 m95 -130.64 177.67 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.676 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 64.4 mtt180 -128.19 116.07 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.76 177.52 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 787' ' ' GLU . . . . . 0.422 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.2 tt0 -131.36 112.54 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.76 -176.75 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.48 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.58 69.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.1 mtt -127.27 152.74 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -138.29 130.07 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -177.4 -164.85 31.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.57 -178.86 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 32.3 mt -152.93 132.67 7.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.564 ' O ' HG23 ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.81 125.93 12.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 14.1 t60 -77.29 -19.83 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -86.64 -33.27 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -92.08 32.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 796' ' ' PRO . 19.4 pt -146.18 161.42 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 40.4 m -125.82 101.03 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.69 151.78 96.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.616 2.211 . . . . 0.0 112.376 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 129.53 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.12 37.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.38 141.04 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.24 105.06 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 5.8 p -64.04 -35.99 82.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -129.27 168.75 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.7 121.9 34.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.92 150.26 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 759' ' ' GLY . 88.6 m -126.11 87.68 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 759' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.36 139.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -87.68 -28.95 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 24.4 p -139.91 178.43 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.19 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 763' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 764' ' ' GLU . 20.9 pt20 -40.92 -45.92 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 763' ' ' GLN . 73.9 mt-10 -78.23 147.39 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.457 HD21 ' C ' ' A' ' 792' ' ' ARG . 68.7 mt -103.61 170.71 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 54.7 p -131.92 120.18 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 767' ' ' PHE . . . . . 0.443 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 3.1 p90 -146.19 156.6 43.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -103.15 154.66 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 769' ' ' ARG . 17.8 ttp-105 -44.56 129.48 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.66 -33.13 6.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.23 111.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 772' ' ' VAL . . . . . 0.488 ' O ' HD23 ' A' ' 773' ' ' LEU . 94.9 t -69.43 150.78 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 773' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.7 OUTLIER -141.75 131.23 23.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -80.8 114.79 19.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.36 99.29 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -61.49 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -161.13 150.9 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -50.13 129.67 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.871 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -96.75 -45.14 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 m -146.99 -175.02 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 92.6 p -55.73 -40.68 72.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.13 42.98 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -148.95 166.54 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -141.42 170.2 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.871 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 80.8 mtt180 -120.55 110.52 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.1 -176.93 14.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.85 113.79 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 788' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 3.0 t-160 -79.87 -177.17 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -57.57 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.92 9.63 63.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 28.7 mtm -127.12 153.59 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 792' ' ' ARG . . . . . 0.457 ' C ' HD21 ' A' ' 765' ' ' LEU . 71.7 mtm-85 -138.02 136.28 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.13 -167.46 39.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.458 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 7.8 mt -80.89 178.13 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mt -144.7 130.12 9.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 32.4 t60 -74.8 0.64 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -100.43 -25.66 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -102.05 28.3 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 14.7 pt -142.13 167.36 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.0 m -134.87 96.08 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.61 157.38 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -79.52 129.0 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -121.66 159.71 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.96 145.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -89.63 100.68 13.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 15.4 p -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.04 174.68 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.83 127.8 38.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 757' ' ' TYR . . . . . 0.409 ' CG ' ' HG3' ' A' ' 796' ' ' PRO . 56.3 t80 -117.58 157.61 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.9 m -134.09 96.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.15 131.01 10.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -76.76 -42.45 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 45.0 p -128.39 165.63 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.97 -46.16 8.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -48.66 -48.27 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.76 149.81 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 65.8 mt -103.99 178.06 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 29.4 p -142.86 138.48 30.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -156.83 158.96 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -98.16 161.53 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 769' ' ' ARG . 19.1 ttp-105 -53.96 124.89 16.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.5 -33.45 6.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.63 112.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.87 144.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.52 132.31 40.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -79.95 113.27 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 751' ' ' ALA . 26.9 mt -86.49 92.08 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.2 OUTLIER -52.21 -63.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.42 158.87 38.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -63.19 107.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.939 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -70.35 -53.3 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.2 t -166.26 -175.04 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 3.8 m -61.78 123.46 18.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.0 26.48 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -150.12 147.27 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.597 ' HE1' ' HD1' ' A' ' 797' ' ' HIS . 55.5 m95 -132.57 177.03 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.939 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 20.9 mtp180 -123.76 113.94 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.04 -176.04 15.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -137.58 111.09 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 788' ' ' HIS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 791' ' ' MET . 2.9 t-160 -80.43 -176.59 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.38 93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.56 71.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.402 ' HB2' ' HB3' ' A' ' 788' ' ' HIS . 5.6 mtp -127.38 147.53 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -136.45 134.21 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.13 -164.31 37.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.01 173.24 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.481 HG23 ' HD2' ' A' ' 796' ' ' PRO . 96.0 mt -145.44 133.81 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.481 ' HD2' HG23 ' A' ' 795' ' ' ILE . 53.7 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.648 ' HA ' HD11 ' A' ' 800' ' ' ILE . 84.4 t60 -69.04 -20.86 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -76.32 -36.7 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 799' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 800' ' ' ILE . 15.5 m-85 -93.49 36.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -159.03 157.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -134.61 102.92 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.571 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.3 mp -51.27 157.9 1.48 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 77.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -118.49 128.84 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.752 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -114.81 141.67 47.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.9 132.24 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.12 105.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.7 t -63.97 -41.13 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -140.5 170.95 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.68 125.06 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -125.2 159.96 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.1 m -135.44 104.96 6.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.37 126.47 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -69.83 -35.43 74.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 53.9 p -140.94 171.62 13.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.57 -32.93 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 763' ' ' GLN . . . . . 0.626 ' HG2' HD12 ' A' ' 794' ' ' LEU . 2.5 tt0 -64.66 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.86 154.84 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 57.3 mt -105.57 164.88 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 12.1 t -129.21 149.88 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 767' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 773' ' ' LEU . 13.3 p90 -168.78 169.14 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 33.8 mtt180 -115.79 139.58 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 47.6 ttp180 -34.42 126.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.32 -36.76 4.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -68.05 113.89 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 772' ' ' VAL . . . . . 0.5 ' O ' HD23 ' A' ' 773' ' ' LEU . 95.0 t -69.83 156.81 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 773' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.5 OUTLIER -145.52 126.8 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -58.86 151.06 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 751' ' ' ALA . 44.6 mt -122.06 85.6 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.2 OUTLIER -52.7 -66.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 777' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 24.1 tt0 -158.47 148.57 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 6.1 tpt180 -53.35 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.873 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -67.42 -53.43 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -137.89 -175.31 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.4 t -61.52 -39.04 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.29 37.76 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -150.07 160.15 43.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 797' ' ' HIS . 65.6 m95 -135.7 164.01 28.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.873 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 11.4 mtt180 -115.22 115.75 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.45 -176.07 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.83 113.1 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 788' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 791' ' ' MET . 3.7 t-160 -82.72 -176.69 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -52.09 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.05 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 788' ' ' HIS . 4.9 mmm -127.32 150.74 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -139.51 132.51 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.76 -161.73 32.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.626 HD12 ' HG2' ' A' ' 763' ' ' GLN . 16.4 mt -83.88 174.31 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 796' ' ' PRO . 94.3 mt -147.52 134.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 795' ' ' ILE . 54.0 Cg_endo -69.74 123.69 10.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.445 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 38.9 t60 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -83.89 -37.04 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -93.15 28.4 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -151.04 135.6 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.0 m -108.41 109.35 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.425 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 86.3 mt -63.59 151.01 89.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.833 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.844 0.354 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -100.71 122.51 43.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -115.33 145.38 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.63 133.07 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.62 108.75 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.62 -42.11 95.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.81 143.88 35.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.06 120.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -117.65 149.89 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 89.6 m -125.73 90.8 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.65 130.42 0.56 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -72.76 -43.83 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 66.7 p -128.01 169.59 13.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.36 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -50.08 -46.26 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.582 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -82.86 148.13 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 58.0 mt -98.06 173.19 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 55.9 m -136.2 122.74 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 767' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' A' ' 773' ' ' LEU . 11.0 p90 -141.46 154.16 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -91.04 150.06 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -42.66 123.73 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 99.95 -33.91 5.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -52.22 113.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 772' ' ' VAL . . . . . 0.494 ' O ' HD23 ' A' ' 773' ' ' LEU . 78.0 t -69.41 155.06 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 773' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 772' ' ' VAL . 2.7 mt -144.05 135.49 25.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -79.32 121.76 25.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' ' 751' ' ' ALA . 47.6 mt -91.81 98.65 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -51.01 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -47.8 136.48 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.535 ' HB1' HD22 ' A' ' 794' ' ' LEU . . . -102.69 -40.73 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.1 t -159.69 -175.17 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 80.3 p -53.87 -36.52 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.96 41.79 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -150.39 158.25 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -135.42 167.27 21.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.5 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 60.2 mtt85 -115.89 108.54 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -138.9 -172.87 12.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -137.58 121.37 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -79.44 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.95 72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.23 -16.09 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.413 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.5 mtt -109.58 159.76 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -144.06 129.2 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.59 -155.74 17.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.582 HD12 ' OE1' ' A' ' 764' ' ' GLU . 5.2 mt -85.94 175.12 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 796' ' ' PRO . 89.0 mt -145.24 134.0 11.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 795' ' ' ILE . 53.9 Cg_endo -69.77 121.89 8.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 8.2 t60 -72.16 -22.28 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.98 -38.07 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -91.07 27.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.714 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -151.71 135.06 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.5 m -105.25 110.34 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 751' ' ' ALA . 24.6 mt -73.37 152.68 90.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.796 0.331 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.21 116.56 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.531 ' HB2' HD23 ' A' ' 802' ' ' LEU . . . -112.62 152.8 28.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.93 150.32 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -93.1 98.27 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 29.3 p -61.25 -38.61 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -125.09 157.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -81.19 127.35 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -119.26 150.14 40.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.6 m -131.69 88.61 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 149.75 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -97.14 -35.49 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 12.2 p -119.69 178.72 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.63 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -53.02 -43.46 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.63 132.57 37.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 55.1 mt -91.06 176.77 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 766' ' ' SER . . . . . 0.423 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 50.8 p -139.55 127.87 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 767' ' ' PHE . . . . . 0.529 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 9.7 p90 -150.05 156.61 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -99.97 156.32 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -46.75 126.61 8.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.56 -24.8 30.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.21 111.94 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 41.5 t -72.69 141.61 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.56 128.81 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -78.04 125.1 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.51 HD11 ' CD2' ' A' ' 802' ' ' LEU . 41.7 mt -91.73 88.7 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -58.9 -48.27 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.73 174.53 12.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 8.0 tpt180 -106.96 92.87 4.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.433 ' HB2' ' CG ' ' A' ' 785' ' ' ARG . . . -53.23 -54.78 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -144.68 -178.91 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 38.9 m -74.24 -11.97 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -118.23 -27.05 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -112.68 158.87 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.599 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 50.8 m95 -133.94 165.46 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 779' ' ' ALA . 17.0 mtm180 -111.57 109.28 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -139.54 178.6 19.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.3 137.2 52.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 788' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 1.8 t-160 -107.27 -177.03 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.48 95.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 11.44 66.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.443 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 22.2 mtp -127.16 158.92 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 792' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 792' ' ' ARG . 14.3 mtp-105 -147.14 128.99 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -179.19 -159.62 23.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 42.0 mt -78.76 -179.5 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -152.22 132.48 7.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.497 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.79 125.84 12.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 11.4 t60 -79.35 -16.16 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -87.79 -28.28 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -97.02 14.07 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.6 pp -140.71 153.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.1 m -121.11 116.34 24.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.599 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 96.0 mt -72.98 152.89 90.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.832 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.76 0.314 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.51 121.96 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.67 157.9 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.28 138.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.42 104.71 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.5 -55.9 25.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.24 143.92 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.64 122.61 13.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.72 151.24 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -132.27 94.05 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.65 129.09 7.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -75.67 -40.16 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.7 p -125.58 168.43 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.85 -47.32 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -47.91 -49.52 29.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -79.67 135.12 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 792' ' ' ARG . 34.7 mt -89.31 176.91 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 5.2 t -132.77 146.81 52.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -173.17 155.8 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 768' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 769' ' ' ARG . 2.4 mpt_? -106.16 144.92 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 768' ' ' ARG . 45.7 ttp85 -36.43 125.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 105.12 -37.85 3.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.0 115.46 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.68 147.14 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.09 126.14 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -78.39 115.5 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.492 HD13 ' CE3' ' A' ' 784' ' ' TRP . 32.4 mt -84.15 95.18 8.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.5 m170 -53.46 -47.66 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -160.73 170.49 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.598 ' CD ' ' CZ2' ' A' ' 784' ' ' TRP . 6.2 tpp85 -83.98 77.31 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.903 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -43.73 -61.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 34.7 t -141.53 173.67 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.9 p -65.0 -25.08 67.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.54 -28.97 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -106.31 158.22 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.62 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 41.2 m95 -135.78 159.01 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.903 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 1.4 mmm180 -101.72 120.25 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.84 173.86 27.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -142.63 111.0 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -85.89 -176.77 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -52.9 96.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.47 17.51 74.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 2.1 mtt -127.1 143.01 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 792' ' ' ARG . . . . . 0.407 ' N ' HD21 ' A' ' 765' ' ' LEU . 53.8 mtm180 -140.52 125.12 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 177.13 -160.31 27.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.82 178.59 7.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.2 mt -150.66 132.43 7.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.36 8.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 18.4 t60 -73.16 -6.24 44.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -90.21 -37.22 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.75 16.76 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.6 pp -139.7 139.02 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 74.5 m -111.67 109.61 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.62 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 75.2 mt -65.02 154.71 86.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -83.78 126.92 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.77 161.95 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 137.2 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.23 110.55 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 30.5 t -73.9 -31.13 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -137.96 159.64 41.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -80.01 129.65 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -122.01 152.58 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.6 m -132.31 93.28 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -45.9 124.57 7.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -76.58 -31.53 57.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 54.5 p -138.8 167.5 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.52 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -54.45 -40.67 68.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -94.34 135.17 36.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.01 -179.7 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 88.2 p -142.19 128.65 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -154.48 166.53 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -109.5 151.33 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -43.77 127.08 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.99 -29.77 11.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -59.45 113.7 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 29.3 t -73.61 145.14 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.54 134.06 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -76.19 123.89 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.532 HD13 ' CE3' ' A' ' 784' ' ' TRP . 37.7 mt -90.81 90.51 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.59 -60.36 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.82 142.88 6.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -52.86 122.44 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.914 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -85.87 -47.15 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.9 m -135.52 -176.33 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 88.4 p -61.18 -32.22 71.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.13 40.56 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -148.41 169.8 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.76 ' HE1' ' HD1' ' A' ' 797' ' ' HIS . 57.8 m95 -144.32 172.03 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.914 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 60.5 mtt180 -125.67 110.87 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -139.13 -175.64 14.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -132.88 121.83 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -79.67 -176.99 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.1 70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 113.62 -13.29 22.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -115.36 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -146.84 136.22 22.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.49 -165.72 38.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.543 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 9.7 mt -74.43 168.97 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 88.4 mt -141.6 131.67 12.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.26 11.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.76 ' HD1' ' HE1' ' A' ' 784' ' ' TRP . 75.4 t60 -74.94 -30.69 61.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.05 1.91 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.7 34.6 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 797' ' ' HIS . 6.9 pt -153.74 178.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 97.9 m -151.21 105.03 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.4 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.4 mp -59.99 157.84 28.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.7 125.42 34.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -122.78 147.22 46.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.75 130.76 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.61 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 754' ' ' CYS . . . . . 0.411 ' SG ' ' CE2' ' A' ' 755' ' ' PHE . 23.6 p -61.23 -34.24 74.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 755' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 799' ' ' TYR . 15.2 m-85 -136.12 167.39 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -84.04 133.31 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -128.99 154.23 46.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 759' ' ' GLY . 80.3 m -128.01 94.57 3.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 759' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.65 128.87 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.553 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -69.95 -45.47 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.5 p -130.94 168.51 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.71 -43.39 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.33 -48.42 55.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.645 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.2 OUTLIER -76.29 161.92 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.452 HD12 HG13 ' A' ' 795' ' ' ILE . 28.4 mt -109.41 162.15 14.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 35.7 p -125.6 128.56 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 767' ' ' PHE . . . . . 0.443 ' HB3' ' CD2' ' A' ' 788' ' ' HIS . 1.1 p90 -155.54 166.09 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.25 157.66 21.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 769' ' ' ARG . 3.0 tmt_? -41.29 136.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 87.64 -26.4 7.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.41 111.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.77 141.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 773' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 788' ' ' HIS . 0.3 OUTLIER -136.49 136.53 39.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -88.69 123.93 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.586 HD13 ' CE3' ' A' ' 784' ' ' TRP . 26.9 mt -85.57 101.41 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 787' ' ' GLU . 0.4 OUTLIER -64.67 -49.93 69.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -155.36 159.44 39.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.494 ' HD3' ' CZ3' ' A' ' 784' ' ' TRP . 5.4 tpp85 -76.07 80.07 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.81 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -43.83 -61.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.5 t -140.89 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 81.4 p -73.2 -22.32 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -119.44 -13.23 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -118.27 164.89 14.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.586 ' CE3' HD13 ' A' ' 775' ' ' LEU . 71.0 m95 -138.33 164.51 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.81 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 4.7 mmm180 -117.79 114.64 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -152.26 -177.65 26.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 787' ' ' GLU . . . . . 0.52 ' HB3' ' CE1' ' A' ' 776' ' ' HIS . 7.8 tt0 -132.38 122.87 25.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 788' ' ' HIS . . . . . 0.523 ' CE1' HD23 ' A' ' 773' ' ' LEU . 0.4 OUTLIER -79.72 -176.76 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -66.19 72.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 790' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 788' ' ' HIS . . . 110.53 -13.82 30.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 791' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 2.2 mmt -110.96 157.69 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 792' ' ' ARG . . . . . 0.41 ' C ' HD21 ' A' ' 765' ' ' LEU . 51.2 mtp180 -141.17 136.54 31.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 165.19 -161.97 35.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.645 HD12 ' OE1' ' A' ' 764' ' ' GLU . 8.0 mt -76.38 179.49 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.452 HG13 HD12 ' A' ' 765' ' ' LEU . 49.9 mt -150.52 128.94 5.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.144 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.65 5.81 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.4 t60 -69.76 -18.67 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.17 -33.69 50.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 799' ' ' TYR . . . . . 0.486 ' CD2' ' HB2' ' A' ' 755' ' ' PHE . 18.0 m-85 -95.77 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 799' ' ' TYR . 18.9 pt -159.79 153.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 51.5 m -121.98 90.99 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 33.7 mt -43.64 154.67 0.34 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 749' ' ' VAL . . . . . 0.491 ' CG1' ' HG3' ' A' ' 803' ' ' PRO . 87.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.59 137.85 32.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -138.08 148.2 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.32 137.87 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -74.46 115.77 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 754' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 755' ' ' PHE . 4.2 m -58.54 -46.98 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 755' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 754' ' ' CYS . 76.7 m-85 -136.12 174.34 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.01 122.03 25.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -115.28 149.93 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.3 m -129.02 93.29 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.05 130.14 6.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -72.6 -41.61 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 67.3 p -137.8 174.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.2 -54.52 5.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -38.66 -45.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.21 163.65 17.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.508 HD21 ' C ' ' A' ' 792' ' ' ARG . 53.2 mt -116.14 165.21 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.5 p -126.34 126.83 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -153.26 151.29 29.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 768' ' ' ARG . 0.3 OUTLIER -90.67 153.04 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.8 126.12 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.59 -35.13 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -52.09 112.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 772' ' ' VAL . . . . . 0.454 ' O ' HD23 ' A' ' 773' ' ' LEU . 63.4 t -67.05 153.61 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 773' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.9 OUTLIER -141.88 144.93 34.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -91.72 113.07 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 48.4 mt -83.85 88.74 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -48.36 -60.81 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -164.12 148.16 9.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -45.22 131.08 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.827 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -101.94 -43.36 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -150.59 -174.96 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 36.6 p -57.09 -48.76 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.1 39.77 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -150.01 160.67 43.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.415 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 59.0 m95 -138.79 175.13 9.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.827 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 22.4 mtp180 -119.21 117.07 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -144.95 179.66 21.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.81 137.72 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -109.78 -176.86 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -54.05 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.77 13.1 68.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.4 mmt -127.17 156.53 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 792' ' ' ARG . . . . . 0.508 ' C ' HD21 ' A' ' 765' ' ' LEU . 78.1 mtt180 -148.96 134.05 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.51 -155.18 18.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.48 174.67 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.86 130.99 11.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 796' ' ' PRO . . . . . 0.451 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.2 Cg_endo -69.77 123.08 9.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 10.4 t60 -75.07 -13.37 60.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -86.87 -33.68 19.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.7 23.84 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 800' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -146.07 154.59 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.6 m -119.34 112.92 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 802' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 775' ' ' LEU . 71.9 mt -78.12 151.14 78.42 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 803' ' ' PRO . . . . . 0.491 ' HG3' ' CG1' ' A' ' 749' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.795 0.331 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -100.87 120.72 40.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.5 164.0 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 91.4 t -108.33 150.76 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -86.33 106.55 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.93 -43.0 86.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -137.89 166.54 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -78.69 124.46 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -119.6 153.98 34.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 91.2 m -128.74 89.88 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.4 131.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 0.7 OUTLIER -72.92 -43.72 62.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 56.4 p -127.66 174.36 9.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.98 -43.55 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.14 -49.27 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.2 158.13 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 765' ' ' LEU . . . . . 0.404 HD11 ' H ' ' A' ' 793' ' ' GLY . 47.8 mt -114.1 162.65 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 8.0 t -124.35 148.11 47.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -168.89 159.83 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 3.8 mpt_? -102.96 142.1 34.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 2.7 tmm_? -34.45 129.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.81 -39.46 2.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.39 111.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 772' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 773' ' ' LEU . 91.5 t -65.28 153.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 773' ' ' LEU . . . . . 0.421 ' N ' HG12 ' A' ' 772' ' ' VAL . 1.5 mt -140.88 126.18 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 -78.17 124.26 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.612 HD13 ' CE3' ' A' ' 784' ' ' TRP . 57.6 mt -89.88 87.22 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 776' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 785' ' ' ARG . 11.0 m170 -57.83 -44.19 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.19 162.76 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 778' ' ' ARG . . . . . 0.586 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 6.7 tpt180 -97.29 82.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 779' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -44.23 -60.35 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.3 t -141.83 178.08 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 69.8 m -69.21 -23.27 63.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.87 -21.77 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -115.95 155.04 28.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 784' ' ' TRP . . . . . 0.612 ' CE3' HD13 ' A' ' 775' ' ' LEU . 60.9 m95 -130.24 172.06 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 785' ' ' ARG . . . . . 0.663 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 61.9 mtt-85 -120.67 110.18 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.82 179.37 18.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 787' ' ' GLU . . . . . 0.402 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.8 tt0 -135.74 111.38 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.78 -176.94 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.68 98.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.81 11.03 65.47 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 33.7 mtm -127.13 150.47 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -139.78 129.93 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 793' ' ' GLY . . . . . 0.404 ' H ' HD11 ' A' ' 765' ' ' LEU . . . -178.61 -160.89 25.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.54 -179.93 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -151.13 132.77 7.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 128.52 16.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 797' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 24.2 t60 -81.52 -2.38 49.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -99.36 -30.25 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.95 27.67 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.01 158.21 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -127.89 101.97 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.93 151.54 95.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.815 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 6.2 t 70.95 43.02 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 88.3 p -82.62 -51.02 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 64.5 158.2 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 3.6 m -127.78 103.64 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 7.1 t -72.56 87.58 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -165.53 -71.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -114.52 104.55 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -144.9 141.28 9.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 57.3 t -148.47 130.75 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.43 122.05 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -85.71 119.08 25.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -117.95 151.02 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 98.6 t -103.6 135.27 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.35 101.7 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 754' ' ' CYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 1.9 t -56.66 -34.84 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 755' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 44.3 m-85 -148.07 153.58 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.57 124.75 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 758' ' ' THR . 38.5 t80 -121.99 158.62 28.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 757' ' ' TYR . 77.2 m -139.23 106.04 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -48.37 126.91 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -65.21 -40.97 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.0 p -131.73 173.23 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.3 -39.57 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.07 -47.88 74.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.15 161.49 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 43.9 mt -113.53 171.7 7.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' SER . . . . . 0.439 ' O ' ' ND1' ' A' ' 788' ' ' HIS . 22.7 t -132.21 151.4 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 767' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 7.1 p90 -174.71 156.52 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 768' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 769' ' ' ARG . 61.3 mtt-85 -100.97 140.8 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 768' ' ' ARG . 1.9 tmt_? -35.14 129.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 770' ' ' GLY . . . . . 0.441 ' N ' ' HD3' ' A' ' 769' ' ' ARG . . . 101.0 -29.28 12.86 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.74 114.19 4.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 50.1 t -70.32 151.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.01 133.19 26.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -78.49 121.14 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 36.8 mt -91.4 90.95 7.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -47.19 -61.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -168.1 146.69 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.631 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 9.4 tpp180 -38.99 141.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.797 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -117.5 -39.82 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.2 t -151.89 -175.05 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.5 t -60.68 -38.8 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.1 36.93 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -149.46 162.7 39.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.631 ' CZ2' ' CZ ' ' A' ' 778' ' ' ARG . 40.1 m95 -139.82 -179.02 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.797 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 23.0 mtt-85 -125.09 115.49 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.33 178.83 20.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -132.91 113.57 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.2 t-160 -81.73 -177.22 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -57.92 99.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.08 62.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 36.6 mtm -127.05 153.22 46.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -141.38 130.4 23.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -178.9 -158.81 22.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.94 171.08 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.01 132.51 13.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.8 Cg_endo -69.76 125.21 11.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 66.2 t60 -79.42 -8.45 59.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -93.71 -30.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.82 3.34 55.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.563 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.5 pp -128.21 139.09 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.8 m -111.38 115.52 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.678 ' HB2' HG22 ' A' ' 806' ' ' THR . 78.6 mt -64.77 152.91 89.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.709 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.65 33.73 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -47.9 109.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 117.36 40.92 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.678 HG22 ' HB2' ' A' ' 802' ' ' LEU . 66.3 p -45.67 171.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.92 105.33 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -119.07 -35.53 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 809' ' ' GLN . . . . . 0.431 ' N ' ' HG2' ' A' ' 808' ' ' LYS . 29.8 mt-30 51.33 45.65 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 65.4 t -111.6 101.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 34.3 m -43.97 146.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 132.62 151.24 6.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -168.0 116.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.1 m -130.95 110.95 11.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.808 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.1 t -118.97 146.17 45.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 96.05 135.13 8.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 27.3 m -155.81 136.33 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.5 m -108.16 44.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -156.27 85.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -127.7 141.73 51.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -162.12 126.96 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 43.9 t -136.22 134.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.14 135.93 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -99.9 127.94 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.17 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.04 135.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.42 132.97 44.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 4.4 t -91.92 -36.75 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -137.08 147.5 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.24 126.9 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -122.12 154.75 36.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 759' ' ' GLY . 98.0 m -133.18 90.67 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.94 125.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.46 -43.92 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.3 p -129.47 171.7 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.07 -42.9 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.78 152.33 28.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 63.7 mt -108.27 161.85 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 50.7 p -125.84 116.57 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -130.37 158.59 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -95.77 150.46 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -44.21 129.72 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 82.83 11.83 80.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.01 117.7 25.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 98.4 t -71.73 145.15 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.31 167.41 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 774' ' ' ARG . . . . . 0.41 ' O ' ' CA ' ' A' ' 786' ' ' GLY . 54.6 mtt180 -118.22 123.87 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.445 HD13 ' CE3' ' A' ' 784' ' ' TRP . 47.6 mt -90.1 93.63 9.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.0 m170 -59.36 -46.63 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -155.06 160.5 41.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.5 tpt180 -88.82 91.72 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.764 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -51.26 -55.68 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.3 m -142.39 -175.5 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 43.5 t -75.71 -9.03 58.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.07 -27.18 3.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -110.05 152.21 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 778' ' ' ARG . 57.3 m95 -128.59 168.18 16.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.764 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 72.6 mtt180 -117.99 115.14 24.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 786' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 774' ' ' ARG . . . -143.82 -174.36 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -137.15 123.7 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.84 -177.22 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.92 71.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 112.87 -10.57 25.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.435 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.7 mmm -118.4 162.37 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ARG . . . . . 0.402 ' C ' HD21 ' A' ' 765' ' ' LEU . 67.6 mtp180 -140.99 138.65 33.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.2 -168.41 41.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.07 176.53 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 51.7 mt -148.2 131.77 8.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 111.137 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.9 Cg_endo -69.78 128.67 16.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 9.0 t60 -78.96 -15.44 58.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -84.44 -32.78 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -96.5 22.71 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.453 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.5 pp -147.01 144.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.6 m -111.84 103.33 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.517 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 80.9 mt -60.28 151.38 68.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 803' ' ' PRO . . . . . 0.746 ' O ' HG23 ' A' ' 806' ' ' THR . 53.8 Cg_endo -69.79 172.62 12.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -38.76 -58.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . -63.31 97.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 803' ' ' PRO . 35.4 p -138.58 146.04 41.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.126 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -98.93 87.64 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -148.51 160.01 43.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' GLN . . . . . 0.705 ' HG2' HG23 ' A' ' 810' ' ' VAL . 47.0 tt0 -98.74 133.8 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 810' ' ' VAL . . . . . 0.705 HG23 ' HG2' ' A' ' 809' ' ' GLN . 6.3 t 66.35 51.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 9.0 p -46.46 141.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 813' ' ' ALA . . . -77.19 124.96 7.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 812' ' ' GLY . . . -34.52 119.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 3.9 m -158.94 134.95 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.1 m -135.47 171.79 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -71.63 -178.29 29.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 32.8 m -98.11 160.43 14.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 50.8 m -99.13 109.33 22.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -140.67 -156.51 6.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -106.06 40.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 107.26 163.87 21.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 748' ' ' VAL . . . . . 0.808 HG11 ' HD2' ' A' ' 774' ' ' ARG . 33.9 t -111.66 139.38 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.39 117.96 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -98.54 122.99 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.56 161.23 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 752' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 772' ' ' VAL . 99.7 t -107.19 136.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.25 103.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 754' ' ' CYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 12.3 t -67.79 -27.98 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 755' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 43.7 m-85 -149.1 151.45 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.98 127.68 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -127.63 153.99 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 90.3 m -129.46 99.43 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 134.9 3.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -80.04 -35.52 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 63.2 p -134.06 160.91 36.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.39 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -48.35 -41.94 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.85 145.79 26.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.676 HD21 ' CA ' ' A' ' 792' ' ' ARG . 40.2 mt -93.45 177.73 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.1 p -139.41 112.48 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -132.4 160.3 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -104.69 154.17 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -45.79 122.5 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 106.61 -31.9 7.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.49 115.53 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 772' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 752' ' ' VAL . 43.7 t -77.25 143.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.07 135.26 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 774' ' ' ARG . . . . . 0.808 ' HD2' HG11 ' A' ' 748' ' ' VAL . 2.8 ttt-85 -85.71 116.78 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 784' ' ' TRP . 44.4 mt -85.58 96.25 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.5 OUTLIER -49.69 -55.6 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 778' ' ' ARG . 6.3 tp10 -168.26 149.72 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 777' ' ' GLU . 5.6 tpt180 -50.99 121.81 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.89 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -92.09 -48.22 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.1 -174.98 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 1.5 t -63.73 -43.16 97.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.11 35.69 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -150.01 160.76 43.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.412 ' CD2' HD13 ' A' ' 775' ' ' LEU . 54.6 m95 -139.2 170.47 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.89 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 5.4 mmt85 -113.79 127.42 56.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -154.61 177.92 31.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -137.77 120.19 15.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.69 -177.03 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.8 72.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.64 27.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.417 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 31.3 mtm -112.4 162.57 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ARG . . . . . 0.676 ' CA ' HD21 ' A' ' 765' ' ' LEU . 50.1 mtm180 -147.03 137.53 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.34 -165.06 37.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.68 168.96 17.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 43.0 mt -136.41 132.53 18.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 121.63 8.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 34.5 t60 -74.31 -4.49 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -95.2 -28.66 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -104.2 28.2 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.637 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.6 pp -148.75 137.24 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 53.1 m -108.98 103.66 12.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.993 HD13 HG21 ' A' ' 806' ' ' THR . 75.4 mt -54.12 151.74 12.31 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.73 23.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -55.49 110.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 156.28 -63.82 0.32 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.993 HG21 HD13 ' A' ' 802' ' ' LEU . 31.4 p -45.27 -56.72 4.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -76.96 96.43 4.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -125.0 116.41 22.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.1 106.88 19.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 810' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 812' ' ' GLY . 15.1 t -81.24 98.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 7.3 p -37.79 -31.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 810' ' ' VAL . . . 124.62 -61.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 47.81 42.1 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.524 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 740' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 741' ' ' SER . 1.8 t -155.03 160.66 41.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 741' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 740' ' ' SER . 34.7 m -36.9 116.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 742' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 743' ' ' SER . . . 177.75 -147.02 7.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 743' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 742' ' ' GLY . 43.4 p -35.38 -60.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 10.9 t -75.42 136.26 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 89.7 -79.81 1.52 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -86.56 123.41 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 154.77 -119.01 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 748' ' ' VAL . . . . . 0.503 HG11 ' HB3' ' A' ' 774' ' ' ARG . 59.7 t -126.26 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 91.6 t -99.87 105.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.1 123.41 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -118.98 156.9 28.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.24 142.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -81.77 108.2 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.4 p -70.18 -23.01 62.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -147.99 150.53 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.64 133.96 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -126.17 158.08 36.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 96.1 m -136.14 105.24 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -53.11 128.89 38.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.71 -39.05 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 29.4 p -125.17 163.86 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -53.81 -47.96 70.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.79 153.26 38.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 39.0 mt -103.27 174.93 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 75.5 m -134.47 116.64 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -141.84 158.8 43.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -108.29 150.41 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -39.43 134.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 95.45 -28.5 11.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.64 115.27 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 772' ' ' VAL . . . . . 0.538 ' O ' HD23 ' A' ' 773' ' ' LEU . 61.2 t -74.15 156.9 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 773' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.5 OUTLIER -146.95 130.59 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 774' ' ' ARG . . . . . 0.503 ' HB3' HG11 ' A' ' 748' ' ' VAL . 60.8 mtt180 -77.14 119.41 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.496 ' CD1' HD21 ' A' ' 802' ' ' LEU . 46.2 mt -90.93 96.1 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -60.52 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -160.34 147.54 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 784' ' ' TRP . 1.1 tpp85 -50.53 135.83 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.832 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -102.89 -42.28 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -144.56 173.89 11.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 77.9 p -50.0 -34.69 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -133.06 40.35 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -149.07 163.6 37.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.708 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 62.0 m95 -139.75 175.03 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.832 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 40.0 mtp180 -124.18 112.77 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.35 -178.05 15.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -132.77 120.9 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -79.76 -177.16 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.93 76.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 105.57 -10.23 45.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 37.0 mtm -116.39 162.26 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -144.7 132.95 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.46 -164.11 32.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.23 171.61 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.6 mt -141.63 131.32 12.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.85 8.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 46.6 t60 -76.48 -3.2 36.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -96.28 -26.45 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -101.96 31.68 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 9.9 pt -149.74 165.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 801' ' ' THR . 16.6 m -130.35 94.59 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.708 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 51.5 mt -55.35 154.25 12.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.31 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -162.84 161.29 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.84 20.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.564 HG22 ' HB2' ' A' ' 802' ' ' LEU . 19.0 p -91.57 -42.61 10.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 111.139 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 56.45 27.17 11.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -51.39 167.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -53.95 144.95 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.59 105.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.27 129.42 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -60.7 158.36 28.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -110.88 143.68 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 15.1 m -94.62 -46.97 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 75.2 m -120.34 129.61 54.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -124.21 -92.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 51.1 m -163.51 157.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 17.2 p -110.82 147.21 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -158.03 39.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.19 157.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 114.0 -75.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 85.5 t -104.49 143.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 749' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 750' ' ' GLU . 65.1 t -109.28 153.49 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 750' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 749' ' ' VAL . 12.2 mt-10 -117.62 125.63 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.22 159.29 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.5 t -109.85 149.76 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.72 109.9 18.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.03 -33.49 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -136.51 155.82 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -71.42 131.83 43.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -128.29 158.41 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 91.6 m -140.52 107.94 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -54.83 135.73 46.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -78.83 -41.75 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 71.4 p -123.2 173.17 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -52.3 -40.88 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -53.19 -45.47 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -79.93 156.13 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.461 HD21 ' C ' ' A' ' 792' ' ' ARG . 73.5 mt -108.62 175.31 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 17.3 m -137.29 122.35 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -145.8 162.09 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 769' ' ' ARG . 44.8 ttt85 -108.72 157.7 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 768' ' ' ARG . 2.6 tmm_? -49.16 124.25 8.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.11 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.88 112.7 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.58 144.08 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.9 133.33 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -82.71 120.83 26.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.48 94.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -53.48 -61.57 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 16.2 tt0 -161.78 152.71 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 7.2 tpp85 -52.24 131.99 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.895 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -101.7 -44.47 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.88 179.18 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 23.6 p -50.87 -43.63 59.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.24 41.65 3.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -148.4 163.86 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -137.67 -178.38 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.895 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 72.4 mtt180 -131.57 113.46 13.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -140.74 -177.91 16.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.42 113.68 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -177.32 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -57.88 98.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.95 62.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 7.4 mtt -126.95 155.04 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ARG . . . . . 0.461 ' C ' HD21 ' A' ' 765' ' ' LEU . 62.0 mtt180 -139.84 133.42 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.38 -168.36 40.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.411 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 8.5 mt -79.61 172.13 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.0 mt -138.56 131.17 16.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.707 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.89 13.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.83 -15.43 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -91.85 -1.38 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.99 31.39 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 7.9 pt -149.2 175.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 96.4 m -138.56 115.83 11.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.73 154.71 85.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 803' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.8 Cg_endo -69.78 146.31 59.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 804' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -35.72 -37.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . -77.76 71.9 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 97.2 m -136.68 127.22 26.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.734 0.302 . . . . 0.0 111.133 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -103.68 109.1 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 116.86 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -60.31 -60.78 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 34.7 m -121.33 145.38 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.34 138.27 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -119.76 -55.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.3 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 77.6 p -158.14 166.06 33.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 34.1 t -93.71 -48.93 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -104.13 128.68 9.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 27.6 p -89.2 42.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 89.4 p -123.98 92.56 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 44.12 -169.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -112.8 160.58 17.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -148.66 112.74 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 97.5 t -148.47 134.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 89.9 t -106.94 110.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.82 121.6 29.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.03 155.9 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.23 139.31 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.61 98.53 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.23 -36.89 83.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.22 150.46 51.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.57 127.59 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -126.02 149.88 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 759' ' ' GLY . 86.9 m -126.69 91.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.44 138.54 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 1.6 mpt_? -82.2 -32.75 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 73.8 p -144.14 178.14 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.06 -54.15 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -42.08 -41.84 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.72 148.64 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 41.0 mt -102.75 169.69 8.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 89.9 p -129.51 124.02 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -147.44 157.17 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -104.53 143.77 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -37.37 128.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 104.72 -35.57 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.07 111.68 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.72 144.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.42 137.21 45.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -81.55 125.92 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 48.3 mt -95.99 94.26 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -53.01 -60.45 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -162.04 147.81 13.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -45.59 134.91 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.848 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -104.22 -42.74 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.72 -175.07 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 22.7 t -54.57 -51.33 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.28 40.14 3.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -148.94 160.35 43.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -138.43 -178.57 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.848 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 28.9 mtt180 -129.82 115.3 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.61 -177.62 18.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -133.72 121.85 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -177.1 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -67.13 73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.84 -11.02 34.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.467 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 30.6 mtm -115.45 161.39 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -143.18 136.73 28.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.48 -163.76 34.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.443 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 9.7 mt -82.96 176.93 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 48.9 mt -144.74 131.01 9.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.87 5.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.0 t60 -68.71 -21.52 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -78.36 -38.61 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' TYR . . . . . 0.419 ' O ' ' CG2' ' A' ' 800' ' ' ILE . 13.7 m-85 -90.72 42.72 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 799' ' ' TYR . 21.1 pt -157.76 165.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 80.0 m -134.51 102.88 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.528 ' HB2' HG21 ' A' ' 806' ' ' THR . 68.1 mt -67.27 151.8 96.78 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 803' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 804' ' ' ALA . 54.0 Cg_endo -69.72 155.5 65.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 804' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -34.82 137.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 122.2 -45.11 1.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.528 HG21 ' HB2' ' A' ' 802' ' ' LEU . 12.0 t -53.86 144.92 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.137 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -123.34 41.32 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.497 ' HG2' ' CE1' ' A' ' 797' ' ' HIS . 17.2 tptt -101.59 -55.37 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.27 84.42 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.04 -59.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.48 146.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 157.16 137.45 2.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -99.1 158.85 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 8.5 t -124.33 134.73 53.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.9 t -92.53 -50.84 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 144.6 -169.04 26.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 28.6 p -98.25 42.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.2 t -134.04 144.02 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 148.51 -52.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -41.73 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 126.08 148.7 7.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 748' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 774' ' ' ARG . 91.6 t -102.51 137.1 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.118 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.7 t -118.27 143.0 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.97 119.06 37.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -121.27 147.92 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.43 136.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -77.11 112.04 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.53 -39.01 86.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.8 162.84 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.75 126.43 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -117.28 153.23 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 759' ' ' GLY . 85.2 m -126.92 89.79 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.57 129.8 0.76 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -71.66 -41.72 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.6 p -134.07 172.15 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.83 -44.46 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -50.88 -43.63 59.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.93 147.08 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.455 HD11 ' H ' ' A' ' 793' ' ' GLY . 57.5 mt -102.54 172.53 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 69.7 p -133.6 154.01 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -171.72 169.78 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 -113.77 149.77 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -42.0 128.25 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.05 -35.96 4.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.17 112.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 42.5 t -70.08 144.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.14 133.39 42.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 774' ' ' ARG . . . . . 0.462 ' HB3' HG13 ' A' ' 748' ' ' VAL . 87.2 mtt180 -83.04 125.0 30.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.444 HD13 ' CE3' ' A' ' 784' ' ' TRP . 56.9 mt -94.63 86.88 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -50.76 -48.25 59.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -153.8 177.79 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.474 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.3 tpt180 -96.39 86.89 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.89 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -46.92 -54.18 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.2 t -148.2 -177.09 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.2 t -72.5 -20.3 61.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.8 -19.9 9.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -115.52 157.56 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.546 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 48.0 m95 -132.12 166.76 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.89 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 48.1 mtp180 -109.12 122.15 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.68 172.37 28.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -137.62 111.66 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -85.12 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -52.92 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.28 79.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 14.2 mtp -127.05 147.22 50.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -143.24 121.27 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.455 ' H ' HD11 ' A' ' 765' ' ' LEU . . . -175.71 -155.03 12.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 13.9 mt -87.5 177.96 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mt -150.09 132.5 8.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.685 0.755 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.4 Cg_endo -69.81 124.46 11.09 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.432 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 29.7 t60 -77.05 -14.44 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -85.75 -32.09 22.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.2 18.58 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 800' ' ' ILE . 2.7 pp -144.35 153.58 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.2 m -123.31 121.92 37.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.623 ' HB2' HG22 ' A' ' 806' ' ' THR . 90.5 mt -80.11 152.75 74.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.6 Cg_endo -69.81 176.51 6.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 804' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -35.9 119.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 114.22 49.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 802' ' ' LEU . 68.7 p -96.73 40.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.43 175.94 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -110.18 154.52 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 67.94 42.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.75 142.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 93.2 t -48.53 -48.62 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 167.52 -164.18 37.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -49.56 -60.81 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 740' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 741' ' ' SER . 82.8 p -120.98 -44.14 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 741' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 740' ' ' SER . 54.0 p -37.63 -44.43 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -79.04 -136.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 57.5 m -94.72 104.5 16.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 4.7 t -116.55 100.1 7.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 150.0 64.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.47 37.57 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -161.04 -65.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 92.5 t -131.85 144.23 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.45 108.06 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.67 136.71 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -127.55 154.97 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 86.6 t -101.64 131.67 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.42 104.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 754' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 799' ' ' TYR . 2.0 t -59.98 -48.47 81.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.94 149.58 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.1 134.66 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.02 156.22 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -133.36 95.01 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.53 127.63 2.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -73.3 -42.31 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.3 p -127.38 170.33 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.46 -36.69 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -55.42 -45.69 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.617 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.2 OUTLIER -81.48 162.91 23.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 39.9 mt -115.04 176.49 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' SER . . . . . 0.512 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 5.1 t -136.22 147.17 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -169.57 159.4 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 769' ' ' ARG . 31.2 mtp180 -104.5 141.5 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 768' ' ' ARG . 73.4 ttt180 -35.16 124.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 109.1 -37.52 3.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.49 113.9 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 57.2 t -74.56 140.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.39 131.03 48.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -77.34 125.25 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.665 HD13 ' CE3' ' A' ' 784' ' ' TRP . 64.0 mt -89.33 94.99 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 785' ' ' ARG . 13.9 m170 -57.69 -56.72 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.01 159.64 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 6.9 tpp180 -73.39 80.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.926 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -43.45 -61.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 7.8 t -136.77 -175.01 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.0 t -78.34 -16.48 57.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -123.01 -17.83 6.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -116.28 161.38 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.665 ' CE3' HD13 ' A' ' 775' ' ' LEU . 46.4 m95 -130.6 171.41 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.926 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 17.1 mtt-85 -119.43 114.67 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.17 -179.77 18.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -134.64 112.38 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.5 t-160 -79.82 -176.89 5.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -55.3 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.86 12.37 67.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.4 mmm -127.2 153.21 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -138.33 132.7 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.96 -158.67 23.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.617 HD12 ' OE1' ' A' ' 764' ' ' GLU . 19.8 mt -86.44 177.53 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 53.9 mt -148.61 132.49 8.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.401 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.82 125.17 11.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 38.3 t60 -78.51 -3.39 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -95.65 -30.67 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 754' ' ' CYS . 2.6 m-85 -97.51 10.82 38.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.707 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -133.02 132.96 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 69.8 m -103.1 115.85 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' A' ' 806' ' ' THR . 24.8 mt -70.04 156.28 92.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.43 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -162.59 172.63 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 58.88 34.24 77.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.509 ' HB ' HD12 ' A' ' 802' ' ' LEU . 5.0 t -122.28 -17.58 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.199 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.14 144.38 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -117.37 93.07 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 809' ' ' GLN . . . . . 0.505 ' NE2' ' H ' ' A' ' 811' ' ' VAL . 0.0 OUTLIER -93.79 141.69 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 810' ' ' VAL . . . . . 0.464 ' N ' ' OE1' ' A' ' 809' ' ' GLN . 93.8 t -35.86 -55.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 811' ' ' VAL . . . . . 0.505 ' H ' ' NE2' ' A' ' 809' ' ' GLN . 12.7 p -120.71 142.35 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 163.15 -160.63 33.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -84.47 178.2 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 47.0 t -97.56 118.55 34.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 27.8 p -101.43 124.57 47.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -176.08 98.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 72.8 m -101.96 81.39 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 2.5 t 42.78 42.24 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' GLY . . . . . 0.446 ' O ' ' CD ' ' A' ' 746' ' ' GLU . . . -173.7 41.21 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 746' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 745' ' ' GLY . 14.9 mp0 -146.32 132.05 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -152.17 161.75 29.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 93.3 t -136.23 144.17 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 97.5 t -134.41 130.8 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -93.93 138.94 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -132.36 157.68 43.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.73 140.26 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.69 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.1 t -73.89 -44.9 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -130.19 145.23 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.16 118.55 7.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -113.93 151.94 31.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.9 m -131.42 98.85 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.24 131.93 10.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -69.88 -40.1 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 68.0 p -139.14 -179.09 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -49.02 -46.66 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -48.85 -37.18 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -98.34 144.72 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.53 -179.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 6.0 m -141.6 126.3 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -150.92 158.68 44.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -103.93 147.17 27.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -39.71 127.66 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.81 -32.85 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.38 114.83 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 51.0 t -75.49 148.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.4 135.36 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -81.49 129.07 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.423 HD13 ' CE3' ' A' ' 784' ' ' TRP . 21.7 mt -93.42 96.96 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -56.5 -54.3 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -165.91 157.58 14.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -61.81 128.03 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.849 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -96.64 -42.62 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -148.39 -177.01 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.0 t -66.05 -28.89 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.93 35.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -148.85 174.74 11.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 70.5 m95 -150.24 174.6 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.849 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 58.4 mtt180 -124.9 113.24 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -142.0 176.61 21.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.4 t-160 -79.73 -177.09 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -66.93 73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.3 -11.19 36.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 13.3 mmm -115.16 161.53 18.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -143.28 135.87 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 175.51 -163.57 33.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.447 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 10.4 mt -81.29 -179.86 7.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 52.4 mt -150.55 130.23 6.62 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.96 10.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 17.1 t60 -74.81 -10.09 59.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 798' ' ' LYS . . . . . 0.532 ' HD2' ' CE1' ' A' ' 799' ' ' TYR . 2.7 tmtm? -86.6 -38.13 17.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' A' ' 798' ' ' LYS . 3.1 m-85 -90.31 37.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 17.4 pt -152.18 164.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 28.1 m -133.75 93.63 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.525 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 58.8 mt -57.29 155.42 18.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -63.82 95.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 175.35 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.67 HG23 ' HB2' ' A' ' 808' ' ' LYS . 10.0 t -78.25 45.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 111.114 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 807' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 806' ' ' THR . 16.0 tt0 35.69 42.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.67 ' HB2' HG23 ' A' ' 806' ' ' THR . 21.5 ttpp -120.29 161.35 21.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -94.49 96.94 9.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 30.9 m -48.89 153.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 811' ' ' VAL . 3.3 p -73.07 -9.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 159.77 -131.26 2.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -86.86 135.9 33.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.424 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 36.9 m -136.11 118.0 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 89.2 p -81.98 105.36 13.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -129.26 119.66 3.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 46.0 m -94.46 103.71 15.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 6.0 t -148.4 149.26 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -99.46 79.43 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -140.38 164.55 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 69.86 -94.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 89.7 t -104.57 135.29 43.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.05 122.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.4 124.02 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.75 160.18 20.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.31 144.0 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -80.3 95.19 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.8 t -51.37 -42.44 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -137.11 155.52 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.58 136.3 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -132.2 153.38 50.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 759' ' ' GLY . 99.9 m -130.17 90.85 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.01 133.17 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -78.56 -39.1 38.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 75.0 p -130.46 169.36 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.92 -46.96 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.43 -49.33 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.98 155.27 32.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 56.4 mt -107.51 173.22 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 28.5 p -132.62 135.46 45.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -158.22 160.22 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 769' ' ' ARG . 45.9 mtp180 -104.9 141.29 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 768' ' ' ARG . 25.3 ttt180 -34.32 126.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 103.24 -37.05 3.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.85 113.2 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.95 149.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.62 130.08 27.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -79.63 121.95 25.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.569 HD13 ' CE3' ' A' ' 784' ' ' TRP . 60.8 mt -85.19 89.92 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.7 m170 -57.3 -40.35 77.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -157.38 167.48 30.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 4.8 tpt180 -104.35 86.11 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.676 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -46.34 -56.58 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 72.4 p -147.74 178.64 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 40.5 t -72.77 -12.78 61.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -112.59 -27.62 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.36 159.25 24.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 778' ' ' ARG . 61.5 m95 -130.64 177.67 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.676 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 64.4 mtt180 -128.19 116.07 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.76 177.52 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' GLU . . . . . 0.422 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.2 tt0 -131.36 112.54 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.76 -176.75 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.48 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.58 69.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.1 mtt -127.27 152.74 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -138.29 130.07 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -177.4 -164.85 31.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.57 -178.86 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 32.3 mt -152.93 132.67 7.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.564 ' O ' HG23 ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.81 125.93 12.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 14.1 t60 -77.29 -19.83 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -86.64 -33.27 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -92.08 32.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 796' ' ' PRO . 19.4 pt -146.18 161.42 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 40.4 m -125.82 101.03 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.989 ' HB3' HG21 ' A' ' 806' ' ' THR . 94.5 mt -67.69 151.78 96.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 163.64 37.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.616 2.211 . . . . 0.0 112.376 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -37.43 143.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 95.89 -111.9 4.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.989 HG21 ' HB3' ' A' ' 802' ' ' LEU . 58.5 p 42.19 40.77 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.138 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.23 -45.08 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.0 135.33 7.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' GLN . . . . . 0.448 ' CD ' ' O ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -133.45 42.08 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 810' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 812' ' ' GLY . 90.3 t -92.61 116.04 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 811' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 811' ' ' VAL . 12.6 p -88.71 39.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 812' ' ' GLY . . . . . 0.519 ' H ' HG12 ' A' ' 810' ' ' VAL . . . -152.14 133.92 4.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -43.67 -55.67 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 53.4 p -153.07 160.38 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 15.0 t -148.51 127.99 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -92.04 -110.29 1.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 89.0 p -155.44 145.43 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 22.1 m -98.96 42.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -81.88 147.93 26.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -166.69 149.51 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 124.76 135.83 4.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 89.3 t -128.44 142.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.08 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 129.53 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.12 37.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.38 141.04 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.24 105.06 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 5.8 p -64.04 -35.99 82.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -129.27 168.75 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.7 121.9 34.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.92 150.26 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 759' ' ' GLY . 88.6 m -126.11 87.68 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.36 139.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -87.68 -28.95 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 24.4 p -139.91 178.43 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.19 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 764' ' ' GLU . 20.9 pt20 -40.92 -45.92 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 763' ' ' GLN . 73.9 mt-10 -78.23 147.39 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.457 HD21 ' C ' ' A' ' 792' ' ' ARG . 68.7 mt -103.61 170.71 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 54.7 p -131.92 120.18 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 767' ' ' PHE . . . . . 0.443 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 3.1 p90 -146.19 156.6 43.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -103.15 154.66 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 769' ' ' ARG . 17.8 ttp-105 -44.56 129.48 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.66 -33.13 6.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.23 111.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 772' ' ' VAL . . . . . 0.488 ' O ' HD23 ' A' ' 773' ' ' LEU . 94.9 t -69.43 150.78 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 773' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.7 OUTLIER -141.75 131.23 23.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -80.8 114.79 19.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.36 99.29 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -61.49 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -161.13 150.9 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -50.13 129.67 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.871 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -96.75 -45.14 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 m -146.99 -175.02 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 92.6 p -55.73 -40.68 72.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.13 42.98 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -148.95 166.54 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -141.42 170.2 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.871 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 80.8 mtt180 -120.55 110.52 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.1 -176.93 14.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.85 113.79 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 3.0 t-160 -79.87 -177.17 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -57.57 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.92 9.63 63.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 28.7 mtm -127.12 153.59 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ARG . . . . . 0.457 ' C ' HD21 ' A' ' 765' ' ' LEU . 71.7 mtm-85 -138.02 136.28 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.13 -167.46 39.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.458 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 7.8 mt -80.89 178.13 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mt -144.7 130.12 9.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 32.4 t60 -74.8 0.64 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -100.43 -25.66 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -102.05 28.3 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 14.7 pt -142.13 167.36 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.0 m -134.87 96.08 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.61 157.38 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.92 11.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 806' ' ' THR . . . -58.43 -49.9 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 805' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 804' ' ' ALA . . . -35.15 -32.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 804' ' ' ALA . 93.2 m -62.37 96.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -77.92 129.41 35.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -101.11 40.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 809' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 810' ' ' VAL . 6.3 pt20 -61.1 -37.37 82.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 810' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 809' ' ' GLN . 95.7 t -136.94 107.14 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.43 125.51 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -80.65 173.68 54.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -138.8 153.93 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 27.6 m -81.34 103.78 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 20.4 t -77.53 143.09 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -178.15 -108.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 81.6 p -44.49 -24.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 11.6 t -83.27 86.22 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -121.91 93.53 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -121.27 -41.59 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -42.11 115.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.02 135.48 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 99.7 t -114.12 116.44 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -79.52 129.0 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -121.66 159.71 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.96 145.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -89.63 100.68 13.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 15.4 p -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.04 174.68 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.83 127.8 38.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 757' ' ' TYR . . . . . 0.409 ' CG ' ' HG3' ' A' ' 796' ' ' PRO . 56.3 t80 -117.58 157.61 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.9 m -134.09 96.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.15 131.01 10.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -76.76 -42.45 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 45.0 p -128.39 165.63 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.97 -46.16 8.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -48.66 -48.27 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.76 149.81 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 65.8 mt -103.99 178.06 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 29.4 p -142.86 138.48 30.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -156.83 158.96 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -98.16 161.53 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 769' ' ' ARG . 19.1 ttp-105 -53.96 124.89 16.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.5 -33.45 6.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.63 112.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.87 144.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.52 132.31 40.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -79.95 113.27 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 751' ' ' ALA . 26.9 mt -86.49 92.08 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.2 OUTLIER -52.21 -63.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.42 158.87 38.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -63.19 107.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.939 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -70.35 -53.3 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.2 t -166.26 -175.04 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 3.8 m -61.78 123.46 18.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.0 26.48 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -150.12 147.27 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.597 ' HE1' ' HD1' ' A' ' 797' ' ' HIS . 55.5 m95 -132.57 177.03 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.939 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 20.9 mtp180 -123.76 113.94 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.04 -176.04 15.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -137.58 111.09 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 791' ' ' MET . 2.9 t-160 -80.43 -176.59 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.38 93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.56 71.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.402 ' HB2' ' HB3' ' A' ' 788' ' ' HIS . 5.6 mtp -127.38 147.53 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -136.45 134.21 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.13 -164.31 37.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.01 173.24 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.481 HG23 ' HD2' ' A' ' 796' ' ' PRO . 96.0 mt -145.44 133.81 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.481 ' HD2' HG23 ' A' ' 795' ' ' ILE . 53.7 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.648 ' HA ' HD11 ' A' ' 800' ' ' ILE . 84.4 t60 -69.04 -20.86 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -76.32 -36.7 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 799' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 800' ' ' ILE . 15.5 m-85 -93.49 36.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -159.03 157.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -134.61 102.92 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.571 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.3 mp -51.27 157.9 1.48 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -57.82 92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 138.86 79.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 71.1 p -110.09 -49.98 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -140.22 157.6 45.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -76.98 54.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -124.97 77.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 33.9 m -137.71 168.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.19 111.88 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -67.89 -179.3 15.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -147.84 127.89 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 14.7 t -103.62 86.33 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.5 m -162.75 124.65 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -99.01 134.13 11.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 62.6 m -77.3 171.12 15.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 39.8 t -91.51 132.18 36.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 144.57 153.55 5.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.27 -52.57 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 139.11 -115.47 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 748' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 774' ' ' ARG . 65.3 t -133.87 138.63 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 77.6 t -111.33 147.37 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -118.49 128.84 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.752 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -114.81 141.67 47.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.9 132.24 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.12 105.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.7 t -63.97 -41.13 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -140.5 170.95 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.68 125.06 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -125.2 159.96 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.1 m -135.44 104.96 6.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.37 126.47 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -69.83 -35.43 74.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 53.9 p -140.94 171.62 13.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.57 -32.93 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 763' ' ' GLN . . . . . 0.626 ' HG2' HD12 ' A' ' 794' ' ' LEU . 2.5 tt0 -64.66 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.86 154.84 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 57.3 mt -105.57 164.88 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 12.1 t -129.21 149.88 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 767' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 773' ' ' LEU . 13.3 p90 -168.78 169.14 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 33.8 mtt180 -115.79 139.58 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 47.6 ttp180 -34.42 126.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.32 -36.76 4.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -68.05 113.89 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 772' ' ' VAL . . . . . 0.5 ' O ' HD23 ' A' ' 773' ' ' LEU . 95.0 t -69.83 156.81 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 773' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.5 OUTLIER -145.52 126.8 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 774' ' ' ARG . . . . . 0.475 ' HG2' ' CG1' ' A' ' 748' ' ' VAL . 7.7 ttm180 -58.86 151.06 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 751' ' ' ALA . 44.6 mt -122.06 85.6 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.2 OUTLIER -52.7 -66.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 24.1 tt0 -158.47 148.57 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 6.1 tpt180 -53.35 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.873 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -67.42 -53.43 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -137.89 -175.31 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.4 t -61.52 -39.04 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.29 37.76 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -150.07 160.15 43.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 797' ' ' HIS . 65.6 m95 -135.7 164.01 28.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.873 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 11.4 mtt180 -115.22 115.75 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.45 -176.07 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.83 113.1 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 791' ' ' MET . 3.7 t-160 -82.72 -176.69 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -52.09 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.05 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 788' ' ' HIS . 4.9 mmm -127.32 150.74 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -139.51 132.51 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.76 -161.73 32.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.626 HD12 ' HG2' ' A' ' 763' ' ' GLN . 16.4 mt -83.88 174.31 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 796' ' ' PRO . 94.3 mt -147.52 134.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 795' ' ' ILE . 54.0 Cg_endo -69.74 123.69 10.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.445 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 38.9 t60 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -83.89 -37.04 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -93.15 28.4 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -151.04 135.6 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.0 m -108.41 109.35 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.425 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 86.3 mt -63.59 151.01 89.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.97 15.3 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -59.91 142.69 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.23 55.46 2.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 41.7 p -97.85 -39.68 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.724 0.297 . . . . 0.0 111.1 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 808' ' ' LYS . 14.8 tp10 -80.29 155.27 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 807' ' ' GLU . 83.4 mttt -34.7 -55.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -152.64 117.89 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.92 172.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 811' ' ' VAL . 7.6 p -117.06 120.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 86.86 153.12 23.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -138.6 156.01 47.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 2.8 t -159.85 160.16 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.832 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 1.6 t -148.76 151.37 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -123.2 79.3 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 35.6 m -38.93 132.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -133.64 137.67 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -111.67 -175.4 19.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -128.01 113.17 15.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.61 17.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 95.2 t -96.0 133.03 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 67.9 t -98.12 139.61 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -100.71 122.51 43.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -115.33 145.38 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.63 133.07 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.62 108.75 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.62 -42.11 95.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.81 143.88 35.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.06 120.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -117.65 149.89 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 89.6 m -125.73 90.8 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.65 130.42 0.56 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -72.76 -43.83 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 66.7 p -128.01 169.59 13.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.36 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -50.08 -46.26 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.582 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -82.86 148.13 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 58.0 mt -98.06 173.19 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 55.9 m -136.2 122.74 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 767' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' A' ' 773' ' ' LEU . 11.0 p90 -141.46 154.16 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -91.04 150.06 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -42.66 123.73 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 99.95 -33.91 5.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -52.22 113.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 772' ' ' VAL . . . . . 0.494 ' O ' HD23 ' A' ' 773' ' ' LEU . 78.0 t -69.41 155.06 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 773' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 772' ' ' VAL . 2.7 mt -144.05 135.49 25.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -79.32 121.76 25.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' ' 751' ' ' ALA . 47.6 mt -91.81 98.65 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -51.01 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -47.8 136.48 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.535 ' HB1' HD22 ' A' ' 794' ' ' LEU . . . -102.69 -40.73 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.1 t -159.69 -175.17 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 80.3 p -53.87 -36.52 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.96 41.79 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -150.39 158.25 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -135.42 167.27 21.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.5 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 60.2 mtt85 -115.89 108.54 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -138.9 -172.87 12.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -137.58 121.37 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -79.44 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.95 72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.23 -16.09 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.413 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.5 mtt -109.58 159.76 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -144.06 129.2 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.59 -155.74 17.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.582 HD12 ' OE1' ' A' ' 764' ' ' GLU . 5.2 mt -85.94 175.12 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 796' ' ' PRO . 89.0 mt -145.24 134.0 11.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 795' ' ' ILE . 53.9 Cg_endo -69.77 121.89 8.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 8.2 t60 -72.16 -22.28 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.98 -38.07 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -91.07 27.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.714 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -151.71 135.06 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.5 m -105.25 110.34 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 751' ' ' ALA . 24.6 mt -73.37 152.68 90.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 803' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.9 Cg_endo -69.73 175.07 8.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 804' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -36.88 131.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 127.01 -38.79 2.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 7.0 t -70.35 163.93 25.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.98 134.41 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -84.03 42.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -41.55 -49.85 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.73 152.07 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.31 -61.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 115.66 -151.33 18.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 49.01 41.66 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 9.6 t -92.86 92.64 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 m -68.65 89.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -92.68 83.9 1.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 4.8 t 60.37 41.84 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.1 m -59.9 139.91 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 122.54 -92.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -105.04 82.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -138.66 -170.4 11.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 748' ' ' VAL . . . . . 0.425 HG11 ' HD2' ' A' ' 774' ' ' ARG . 62.0 t -112.44 143.2 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.36 132.89 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.21 116.56 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.531 ' HB2' HD23 ' A' ' 802' ' ' LEU . . . -112.62 152.8 28.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.93 150.32 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -93.1 98.27 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 29.3 p -61.25 -38.61 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -125.09 157.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -81.19 127.35 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -119.26 150.14 40.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.6 m -131.69 88.61 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 149.75 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -97.14 -35.49 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 12.2 p -119.69 178.72 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.63 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -53.02 -43.46 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.63 132.57 37.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 55.1 mt -91.06 176.77 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 766' ' ' SER . . . . . 0.423 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 50.8 p -139.55 127.87 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 767' ' ' PHE . . . . . 0.529 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 9.7 p90 -150.05 156.61 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -99.97 156.32 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -46.75 126.61 8.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.56 -24.8 30.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.21 111.94 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 41.5 t -72.69 141.61 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.56 128.81 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 774' ' ' ARG . . . . . 0.425 ' HD2' HG11 ' A' ' 748' ' ' VAL . 14.5 mmt180 -78.04 125.1 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.51 HD11 ' CD2' ' A' ' 802' ' ' LEU . 41.7 mt -91.73 88.7 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -58.9 -48.27 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.73 174.53 12.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 8.0 tpt180 -106.96 92.87 4.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.433 ' HB2' ' CG ' ' A' ' 785' ' ' ARG . . . -53.23 -54.78 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -144.68 -178.91 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 38.9 m -74.24 -11.97 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -118.23 -27.05 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -112.68 158.87 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.599 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 50.8 m95 -133.94 165.46 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 779' ' ' ALA . 17.0 mtm180 -111.57 109.28 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -139.54 178.6 19.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.3 137.2 52.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 1.8 t-160 -107.27 -177.03 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.48 95.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 11.44 66.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.443 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 22.2 mtp -127.16 158.92 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 792' ' ' ARG . 14.3 mtp-105 -147.14 128.99 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -179.19 -159.62 23.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 42.0 mt -78.76 -179.5 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -152.22 132.48 7.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.497 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.79 125.84 12.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 11.4 t60 -79.35 -16.16 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -87.79 -28.28 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -97.02 14.07 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.6 pp -140.71 153.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.1 m -121.11 116.34 24.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 1.036 HD13 HG21 ' A' ' 806' ' ' THR . 96.0 mt -72.98 152.89 90.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.32 16.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -72.07 79.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 149.71 62.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' THR . . . . . 1.036 HG21 HD13 ' A' ' 802' ' ' LEU . 24.1 m -116.17 40.08 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 111.116 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 807' ' ' GLU . . . . . 0.431 ' HG2' ' C ' ' A' ' 806' ' ' THR . 15.2 pt-20 37.01 32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 806' ' ' THR . 8.8 tppt? -159.22 137.65 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 45.04 53.85 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.35 121.46 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.19 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -102.23 -109.41 3.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 51.33 43.96 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 91.2 p -67.42 113.53 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 49.7 m -144.99 112.47 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -153.37 56.49 0.43 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 83.0 p -57.04 162.22 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 3.4 m -96.94 121.11 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 129.12 124.31 2.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -161.17 115.22 2.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.9 26.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 93.2 t -134.13 138.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.1 t -105.58 125.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.51 121.96 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.67 157.9 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.28 138.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.42 104.71 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.5 -55.9 25.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.24 143.92 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.64 122.61 13.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.72 151.24 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -132.27 94.05 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.65 129.09 7.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -75.67 -40.16 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.7 p -125.58 168.43 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.85 -47.32 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -47.91 -49.52 29.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -79.67 135.12 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 792' ' ' ARG . 34.7 mt -89.31 176.91 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 5.2 t -132.77 146.81 52.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -173.17 155.8 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 769' ' ' ARG . 2.4 mpt_? -106.16 144.92 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 768' ' ' ARG . 45.7 ttp85 -36.43 125.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 105.12 -37.85 3.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.0 115.46 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.68 147.14 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.09 126.14 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -78.39 115.5 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.492 HD13 ' CE3' ' A' ' 784' ' ' TRP . 32.4 mt -84.15 95.18 8.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.5 m170 -53.46 -47.66 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -160.73 170.49 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.598 ' CD ' ' CZ2' ' A' ' 784' ' ' TRP . 6.2 tpp85 -83.98 77.31 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.903 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -43.73 -61.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 34.7 t -141.53 173.67 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.9 p -65.0 -25.08 67.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.54 -28.97 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -106.31 158.22 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.62 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 41.2 m95 -135.78 159.01 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.903 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 1.4 mmm180 -101.72 120.25 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.84 173.86 27.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -142.63 111.0 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -85.89 -176.77 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -52.9 96.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.47 17.51 74.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 2.1 mtt -127.1 143.01 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ARG . . . . . 0.407 ' N ' HD21 ' A' ' 765' ' ' LEU . 53.8 mtm180 -140.52 125.12 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 177.13 -160.31 27.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.82 178.59 7.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.2 mt -150.66 132.43 7.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.36 8.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 18.4 t60 -73.16 -6.24 44.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -90.21 -37.22 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.75 16.76 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.6 pp -139.7 139.02 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 74.5 m -111.67 109.61 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.62 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 75.2 mt -65.02 154.71 86.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.53 37.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -38.34 157.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 63.29 44.08 97.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 802' ' ' LEU . 1.0 OUTLIER -59.76 -43.52 94.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.14 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 807' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 808' ' ' LYS . 10.7 pt-20 -132.15 -39.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 808' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 807' ' ' GLU . 11.9 ttpp -73.13 143.43 47.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -119.2 173.84 6.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.23 145.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.09 137.34 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 84.13 -101.88 2.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -143.48 140.53 30.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 69.9 p -70.16 92.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.9 m -97.15 168.97 10.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 149.4 108.44 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 50.6 m -97.4 146.33 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.822 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.7 p -134.93 133.66 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 745' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 747' ' ' GLY . . . -151.75 -89.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 746' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 746' ' ' GLU . 0.0 OUTLIER 34.24 33.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.918 -179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 747' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 745' ' ' GLY . . . -113.44 -138.88 7.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 748' ' ' VAL . . . . . 0.592 HG11 ' HB3' ' A' ' 774' ' ' ARG . 79.8 t -146.03 139.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.5 120.2 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -83.78 126.92 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.77 161.95 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 137.2 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.23 110.55 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 30.5 t -73.9 -31.13 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -137.96 159.64 41.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -80.01 129.65 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -122.01 152.58 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.6 m -132.31 93.28 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -45.9 124.57 7.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -76.58 -31.53 57.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 54.5 p -138.8 167.5 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.52 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -54.45 -40.67 68.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -94.34 135.17 36.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.01 -179.7 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 88.2 p -142.19 128.65 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -154.48 166.53 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -109.5 151.33 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -43.77 127.08 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.99 -29.77 11.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -59.45 113.7 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 29.3 t -73.61 145.14 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.54 134.06 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 774' ' ' ARG . . . . . 0.592 ' HB3' HG11 ' A' ' 748' ' ' VAL . 23.2 mtt180 -76.19 123.89 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.532 HD13 ' CE3' ' A' ' 784' ' ' TRP . 37.7 mt -90.81 90.51 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.59 -60.36 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.82 142.88 6.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -52.86 122.44 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.914 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -85.87 -47.15 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.9 m -135.52 -176.33 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 88.4 p -61.18 -32.22 71.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.13 40.56 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -148.41 169.8 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.76 ' HE1' ' HD1' ' A' ' 797' ' ' HIS . 57.8 m95 -144.32 172.03 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.914 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 60.5 mtt180 -125.67 110.87 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -139.13 -175.64 14.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -132.88 121.83 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -79.67 -176.99 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.1 70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 113.62 -13.29 22.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -115.36 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -146.84 136.22 22.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.49 -165.72 38.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.543 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 9.7 mt -74.43 168.97 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 88.4 mt -141.6 131.67 12.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.26 11.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.76 ' HD1' ' HE1' ' A' ' 784' ' ' TRP . 75.4 t60 -74.94 -30.69 61.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.05 1.91 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.7 34.6 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 797' ' ' HIS . 6.9 pt -153.74 178.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 97.9 m -151.21 105.03 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.4 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.4 mp -59.99 157.84 28.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.2 Cg_endo -69.83 164.71 33.61 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 804' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -34.08 147.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 805' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 806' ' ' THR . . . 75.35 -109.86 2.9 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 805' ' ' GLY . 60.6 p 36.76 35.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 111.189 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -48.7 159.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 148.3 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.82 140.3 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 810' ' ' VAL . 32.9 m -60.49 118.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.0 163.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -149.67 -109.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -117.92 104.03 10.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 55.3 m -44.35 -59.87 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.826 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 18.0 m -155.27 161.3 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 66.36 -165.59 39.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 25.4 m -145.8 160.78 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.6 m -128.94 89.23 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 88.66 -82.97 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 67.48 46.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 97.42 118.14 3.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 748' ' ' VAL . . . . . 0.501 HG21 HH21 ' A' ' 774' ' ' ARG . 52.2 t -125.56 148.79 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 85.5 t -110.06 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.7 125.42 34.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -122.78 147.22 46.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.75 130.76 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.61 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 754' ' ' CYS . . . . . 0.411 ' SG ' ' CE2' ' A' ' 755' ' ' PHE . 23.6 p -61.23 -34.24 74.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 755' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 799' ' ' TYR . 15.2 m-85 -136.12 167.39 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -84.04 133.31 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -128.99 154.23 46.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 759' ' ' GLY . 80.3 m -128.01 94.57 3.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.65 128.87 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.553 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -69.95 -45.47 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.5 p -130.94 168.51 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.71 -43.39 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.33 -48.42 55.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.645 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.2 OUTLIER -76.29 161.92 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.452 HD12 HG13 ' A' ' 795' ' ' ILE . 28.4 mt -109.41 162.15 14.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 35.7 p -125.6 128.56 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 767' ' ' PHE . . . . . 0.443 ' HB3' ' CD2' ' A' ' 788' ' ' HIS . 1.1 p90 -155.54 166.09 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.25 157.66 21.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 769' ' ' ARG . 3.0 tmt_? -41.29 136.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 87.64 -26.4 7.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.41 111.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.77 141.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 773' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 788' ' ' HIS . 0.3 OUTLIER -136.49 136.53 39.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 774' ' ' ARG . . . . . 0.501 HH21 HG21 ' A' ' 748' ' ' VAL . 34.2 mtp180 -88.69 123.93 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.586 HD13 ' CE3' ' A' ' 784' ' ' TRP . 26.9 mt -85.57 101.41 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 787' ' ' GLU . 0.4 OUTLIER -64.67 -49.93 69.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -155.36 159.44 39.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.494 ' HD3' ' CZ3' ' A' ' 784' ' ' TRP . 5.4 tpp85 -76.07 80.07 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.81 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -43.83 -61.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.5 t -140.89 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 81.4 p -73.2 -22.32 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -119.44 -13.23 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -118.27 164.89 14.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.586 ' CE3' HD13 ' A' ' 775' ' ' LEU . 71.0 m95 -138.33 164.51 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.81 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 4.7 mmm180 -117.79 114.64 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -152.26 -177.65 26.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' GLU . . . . . 0.52 ' HB3' ' CE1' ' A' ' 776' ' ' HIS . 7.8 tt0 -132.38 122.87 25.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.523 ' CE1' HD23 ' A' ' 773' ' ' LEU . 0.4 OUTLIER -79.72 -176.76 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -66.19 72.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 788' ' ' HIS . . . 110.53 -13.82 30.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 791' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 2.2 mmt -110.96 157.69 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ARG . . . . . 0.41 ' C ' HD21 ' A' ' 765' ' ' LEU . 51.2 mtp180 -141.17 136.54 31.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 165.19 -161.97 35.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.645 HD12 ' OE1' ' A' ' 764' ' ' GLU . 8.0 mt -76.38 179.49 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.452 HG13 HD12 ' A' ' 765' ' ' LEU . 49.9 mt -150.52 128.94 5.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.144 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.65 5.81 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.4 t60 -69.76 -18.67 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.17 -33.69 50.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 799' ' ' TYR . . . . . 0.486 ' CD2' ' HB2' ' A' ' 755' ' ' PHE . 18.0 m-85 -95.77 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 799' ' ' TYR . 18.9 pt -159.79 153.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 51.5 m -121.98 90.99 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.639 ' HB2' HG22 ' A' ' 806' ' ' THR . 33.7 mt -43.64 154.67 0.34 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -167.92 167.39 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 58.97 55.43 30.97 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 802' ' ' LEU . 81.2 p -84.17 -53.14 5.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -149.09 159.46 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -90.7 85.65 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -119.05 156.9 28.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.99 100.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.55 -32.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 94.07 -130.55 10.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.32 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 54.7 p -78.08 142.18 38.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 33.6 p -110.13 105.11 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -157.08 -174.79 27.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 65.8 p -65.37 146.52 54.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.3 p -67.62 123.31 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -48.3 160.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -86.89 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 119.89 -83.62 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 57.3 t -155.37 148.01 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 749' ' ' VAL . . . . . 0.491 ' CG1' ' HG3' ' A' ' 803' ' ' PRO . 87.2 t -129.64 138.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.59 137.85 32.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -138.08 148.2 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.32 137.87 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -74.46 115.77 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 754' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 755' ' ' PHE . 4.2 m -58.54 -46.98 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 755' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 754' ' ' CYS . 76.7 m-85 -136.12 174.34 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.01 122.03 25.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -115.28 149.93 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.3 m -129.02 93.29 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.05 130.14 6.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -72.6 -41.61 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 67.3 p -137.8 174.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.2 -54.52 5.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -38.66 -45.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.21 163.65 17.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.508 HD21 ' C ' ' A' ' 792' ' ' ARG . 53.2 mt -116.14 165.21 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.5 p -126.34 126.83 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -153.26 151.29 29.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 768' ' ' ARG . 0.3 OUTLIER -90.67 153.04 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.8 126.12 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.59 -35.13 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -52.09 112.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 772' ' ' VAL . . . . . 0.454 ' O ' HD23 ' A' ' 773' ' ' LEU . 63.4 t -67.05 153.61 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 773' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.9 OUTLIER -141.88 144.93 34.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -91.72 113.07 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 48.4 mt -83.85 88.74 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 785' ' ' ARG . 0.3 OUTLIER -48.36 -60.81 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -164.12 148.16 9.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -45.22 131.08 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.827 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -101.94 -43.36 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -150.59 -174.96 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 36.6 p -57.09 -48.76 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.1 39.77 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -150.01 160.67 43.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.415 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 59.0 m95 -138.79 175.13 9.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.827 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 22.4 mtp180 -119.21 117.07 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -144.95 179.66 21.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.81 137.72 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -109.78 -176.86 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -54.05 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.77 13.1 68.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.4 mmt -127.17 156.53 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ARG . . . . . 0.508 ' C ' HD21 ' A' ' 765' ' ' LEU . 78.1 mtt180 -148.96 134.05 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.51 -155.18 18.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.48 174.67 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.86 130.99 11.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.451 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.2 Cg_endo -69.77 123.08 9.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 10.4 t60 -75.07 -13.37 60.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -86.87 -33.68 19.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.7 23.84 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 800' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -146.07 154.59 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.6 m -119.34 112.92 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 775' ' ' LEU . 71.9 mt -78.12 151.14 78.42 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 803' ' ' PRO . . . . . 0.491 ' HG3' ' CG1' ' A' ' 749' ' ' VAL . 53.9 Cg_endo -69.82 -176.28 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -69.39 108.61 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 161.81 -61.12 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 6.4 t -38.73 137.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 111.204 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -57.12 106.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -85.29 53.0 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -85.14 48.74 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.43 143.34 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.18 135.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 176.77 -117.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -60.07 125.97 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 5.9 t -105.37 43.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.914 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 87.0 p -81.15 43.44 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -176.46 -109.9 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 60.6 p -62.43 154.77 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 72.9 m -126.96 166.43 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 63.99 57.15 14.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.43 84.12 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -156.61 165.88 33.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 88.2 t -141.4 142.77 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 83.9 t -107.24 130.51 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -100.87 120.72 40.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.5 164.0 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 91.4 t -108.33 150.76 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -86.33 106.55 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.93 -43.0 86.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -137.89 166.54 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -78.69 124.46 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -119.6 153.98 34.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 91.2 m -128.74 89.88 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.4 131.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 0.7 OUTLIER -72.92 -43.72 62.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 56.4 p -127.66 174.36 9.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.98 -43.55 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.14 -49.27 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.2 158.13 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 765' ' ' LEU . . . . . 0.404 HD11 ' H ' ' A' ' 793' ' ' GLY . 47.8 mt -114.1 162.65 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 8.0 t -124.35 148.11 47.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -168.89 159.83 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 3.8 mpt_? -102.96 142.1 34.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 2.7 tmm_? -34.45 129.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.81 -39.46 2.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.39 111.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 772' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 773' ' ' LEU . 91.5 t -65.28 153.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 773' ' ' LEU . . . . . 0.421 ' N ' HG12 ' A' ' 772' ' ' VAL . 1.5 mt -140.88 126.18 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 -78.17 124.26 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.612 HD13 ' CE3' ' A' ' 784' ' ' TRP . 57.6 mt -89.88 87.22 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 776' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 785' ' ' ARG . 11.0 m170 -57.83 -44.19 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.19 162.76 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' ARG . . . . . 0.586 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 6.7 tpt180 -97.29 82.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -44.23 -60.35 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.3 t -141.83 178.08 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 69.8 m -69.21 -23.27 63.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.87 -21.77 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -115.95 155.04 28.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' TRP . . . . . 0.612 ' CE3' HD13 ' A' ' 775' ' ' LEU . 60.9 m95 -130.24 172.06 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 785' ' ' ARG . . . . . 0.663 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 61.9 mtt-85 -120.67 110.18 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.82 179.37 18.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' GLU . . . . . 0.402 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.8 tt0 -135.74 111.38 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.78 -176.94 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.68 98.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.81 11.03 65.47 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 33.7 mtm -127.13 150.47 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -139.78 129.93 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.404 ' H ' HD11 ' A' ' 765' ' ' LEU . . . -178.61 -160.89 25.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.54 -179.93 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -151.13 132.77 7.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 128.52 16.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 24.2 t60 -81.52 -2.38 49.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -99.36 -30.25 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.95 27.67 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.01 158.21 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -127.89 101.97 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' LEU . . . . . 0.423 HD13 ' HB ' ' A' ' 806' ' ' THR . 64.4 mt -65.93 151.54 95.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -175.56 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.68 -46.08 3.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' THR . . . . . 0.423 ' HB ' HD13 ' A' ' 802' ' ' LEU . 9.1 t -60.74 -28.1 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.1 126.81 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 105.55 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -153.8 134.24 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 30.5 m -47.26 133.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 13.7 p -151.53 142.52 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -89.24 87.9 1.49 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 59.28 47.38 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.787 0.327 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -85.71 119.08 25.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -117.95 151.02 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 98.6 t -103.6 135.27 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.35 101.7 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 1.9 t -56.66 -34.84 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 44.3 m-85 -148.07 153.58 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.57 124.75 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 758' ' ' THR . 38.5 t80 -121.99 158.62 28.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 757' ' ' TYR . 77.2 m -139.23 106.04 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -48.37 126.91 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -65.21 -40.97 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.0 p -131.73 173.23 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.3 -39.57 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.07 -47.88 74.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.15 161.49 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 43.9 mt -113.53 171.7 7.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . 0.439 ' O ' ' ND1' ' A' ' 788' ' ' HIS . 22.7 t -132.21 151.4 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 7.1 p90 -174.71 156.52 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 769' ' ' ARG . 61.3 mtt-85 -100.97 140.8 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 768' ' ' ARG . 1.9 tmt_? -35.14 129.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . 0.441 ' N ' ' HD3' ' A' ' 769' ' ' ARG . . . 101.0 -29.28 12.86 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.74 114.19 4.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 50.1 t -70.32 151.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.01 133.19 26.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -78.49 121.14 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 36.8 mt -91.4 90.95 7.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 785' ' ' ARG . 16.7 m170 -47.19 -61.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -168.1 146.69 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.631 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 9.4 tpp180 -38.99 141.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.797 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -117.5 -39.82 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.2 t -151.89 -175.05 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.5 t -60.68 -38.8 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.1 36.93 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -149.46 162.7 39.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.631 ' CZ2' ' CZ ' ' A' ' 778' ' ' ARG . 40.1 m95 -139.82 -179.02 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.797 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 23.0 mtt-85 -125.09 115.49 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -141.33 178.83 20.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -132.91 113.57 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.2 t-160 -81.73 -177.22 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -57.92 99.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.08 62.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 36.6 mtm -127.05 153.22 46.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -141.38 130.4 23.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -178.9 -158.81 22.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.94 171.08 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.01 132.51 13.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.8 Cg_endo -69.76 125.21 11.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 66.2 t60 -79.42 -8.45 59.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -93.71 -30.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.82 3.34 55.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.563 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.5 pp -128.21 139.09 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.8 m -111.38 115.52 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.77 152.91 89.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.709 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 50.4 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -99.9 127.94 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.17 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.04 135.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.42 132.97 44.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 4.4 t -91.92 -36.75 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -137.08 147.5 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.24 126.9 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -122.12 154.75 36.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 759' ' ' GLY . 98.0 m -133.18 90.67 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.94 125.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.46 -43.92 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.3 p -129.47 171.7 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.07 -42.9 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.78 152.33 28.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 63.7 mt -108.27 161.85 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 50.7 p -125.84 116.57 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -130.37 158.59 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -95.77 150.46 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -44.21 129.72 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 82.83 11.83 80.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.01 117.7 25.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 98.4 t -71.73 145.15 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.31 167.41 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . 0.41 ' O ' ' CA ' ' A' ' 786' ' ' GLY . 54.6 mtt180 -118.22 123.87 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.445 HD13 ' CE3' ' A' ' 784' ' ' TRP . 47.6 mt -90.1 93.63 9.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.0 m170 -59.36 -46.63 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -155.06 160.5 41.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.5 tpt180 -88.82 91.72 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.764 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -51.26 -55.68 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.3 m -142.39 -175.5 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 43.5 t -75.71 -9.03 58.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.07 -27.18 3.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -110.05 152.21 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 778' ' ' ARG . 57.3 m95 -128.59 168.18 16.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.764 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 72.6 mtt180 -117.99 115.14 24.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 774' ' ' ARG . . . -143.82 -174.36 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -137.15 123.7 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -79.84 -177.22 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.92 71.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 112.87 -10.57 25.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.435 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.7 mmm -118.4 162.37 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . 0.402 ' C ' HD21 ' A' ' 765' ' ' LEU . 67.6 mtp180 -140.99 138.65 33.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.2 -168.41 41.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.07 176.53 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 51.7 mt -148.2 131.77 8.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 111.137 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.9 Cg_endo -69.78 128.67 16.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 9.0 t60 -78.96 -15.44 58.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -84.44 -32.78 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -96.5 22.71 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.453 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.5 pp -147.01 144.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.6 m -111.84 103.33 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.517 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 80.9 mt -60.28 151.38 68.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.805 0.336 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -98.54 122.99 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.56 161.23 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 772' ' ' VAL . 99.7 t -107.19 136.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.25 103.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 12.3 t -67.79 -27.98 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 43.7 m-85 -149.1 151.45 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.98 127.68 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -127.63 153.99 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 90.3 m -129.46 99.43 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 134.9 3.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -80.04 -35.52 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 63.2 p -134.06 160.91 36.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.39 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -48.35 -41.94 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.85 145.79 26.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.676 HD21 ' CA ' ' A' ' 792' ' ' ARG . 40.2 mt -93.45 177.73 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.1 p -139.41 112.48 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -132.4 160.3 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -104.69 154.17 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -45.79 122.5 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 106.61 -31.9 7.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.49 115.53 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 752' ' ' VAL . 43.7 t -77.25 143.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.07 135.26 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 2.8 ttt-85 -85.71 116.78 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 784' ' ' TRP . 44.4 mt -85.58 96.25 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.517 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 9.1 m170 -49.69 -55.6 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 778' ' ' ARG . 6.3 tp10 -168.26 149.72 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 777' ' ' GLU . 5.6 tpt180 -50.99 121.81 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.89 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -92.09 -48.22 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.1 -174.98 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 1.5 t -63.73 -43.16 97.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.11 35.69 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -150.01 160.76 43.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.412 ' CD2' HD13 ' A' ' 775' ' ' LEU . 54.6 m95 -139.2 170.47 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.89 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 5.4 mmt85 -113.79 127.42 56.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.517 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -154.61 177.92 31.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -137.77 120.19 15.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.485 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.1 t-160 -79.69 -177.03 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . 0.485 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 0.3 OUTLIER -66.8 72.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.64 27.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.417 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 31.3 mtm -112.4 162.57 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . 0.676 ' CA ' HD21 ' A' ' 765' ' ' LEU . 50.1 mtm180 -147.03 137.53 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.34 -165.06 37.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.68 168.96 17.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 43.0 mt -136.41 132.53 18.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 121.63 8.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 34.5 t60 -74.31 -4.49 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -95.2 -28.66 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -104.2 28.2 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.637 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.6 pp -148.75 137.24 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 53.1 m -108.98 103.66 12.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 75.4 mt -54.12 151.74 12.31 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.336 179.871 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.817 0.341 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.1 123.41 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -118.98 156.9 28.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.24 142.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -81.77 108.2 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.4 p -70.18 -23.01 62.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -147.99 150.53 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.64 133.96 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -126.17 158.08 36.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 96.1 m -136.14 105.24 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -53.11 128.89 38.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.71 -39.05 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 29.4 p -125.17 163.86 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -53.81 -47.96 70.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.79 153.26 38.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 39.0 mt -103.27 174.93 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 75.5 m -134.47 116.64 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -141.84 158.8 43.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -108.29 150.41 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -39.43 134.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 95.45 -28.5 11.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.64 115.27 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . 0.538 ' O ' HD23 ' A' ' 773' ' ' LEU . 61.2 t -74.15 156.9 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.5 OUTLIER -146.95 130.59 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -77.14 119.41 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.496 ' CD1' HD21 ' A' ' 802' ' ' LEU . 46.2 mt -90.93 96.1 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 776' ' ' HIS . 7.4 m170 -58.69 -60.52 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -160.34 147.54 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 784' ' ' TRP . 1.1 tpp85 -50.53 135.83 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.832 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -102.89 -42.28 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -144.56 173.89 11.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 77.9 p -50.0 -34.69 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -133.06 40.35 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -149.07 163.6 37.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.708 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 62.0 m95 -139.75 175.03 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.832 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 40.0 mtp180 -124.18 112.77 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.35 -178.05 15.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -132.77 120.9 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -79.76 -177.16 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.93 76.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 105.57 -10.23 45.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 37.0 mtm -116.39 162.26 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -144.7 132.95 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.46 -164.11 32.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.23 171.61 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.6 mt -141.63 131.32 12.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.85 8.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 46.6 t60 -76.48 -3.2 36.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -96.28 -26.45 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -101.96 31.68 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 9.9 pt -149.74 165.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 801' ' ' THR . 16.6 m -130.35 94.59 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.708 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 51.5 mt -55.35 154.25 12.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 750' ' ' GLU . 65.1 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.824 0.345 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 749' ' ' VAL . 12.2 mt-10 -117.62 125.63 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.22 159.29 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.5 t -109.85 149.76 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.72 109.9 18.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.03 -33.49 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -136.51 155.82 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -71.42 131.83 43.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -128.29 158.41 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 91.6 m -140.52 107.94 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -54.83 135.73 46.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -78.83 -41.75 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 71.4 p -123.2 173.17 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -52.3 -40.88 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -53.19 -45.47 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -79.93 156.13 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.461 HD21 ' C ' ' A' ' 792' ' ' ARG . 73.5 mt -108.62 175.31 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 17.3 m -137.29 122.35 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 13.2 p90 -145.8 162.09 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 769' ' ' ARG . 44.8 ttt85 -108.72 157.7 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 768' ' ' ARG . 2.6 tmm_? -49.16 124.25 8.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.11 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.88 112.7 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.58 144.08 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.9 133.33 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -82.71 120.83 26.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.48 94.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.52 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 14.9 m170 -53.48 -61.57 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 16.2 tt0 -161.78 152.71 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 7.2 tpp85 -52.24 131.99 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.895 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -101.7 -44.47 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.88 179.18 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 23.6 p -50.87 -43.63 59.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.24 41.65 3.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -148.4 163.86 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -137.67 -178.38 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.895 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 72.4 mtt180 -131.57 113.46 13.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.52 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -140.74 -177.91 16.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.42 113.68 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.6 t-160 -79.86 -177.32 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -57.88 98.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.95 62.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 7.4 mtt -126.95 155.04 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . 0.461 ' C ' HD21 ' A' ' 765' ' ' LEU . 62.0 mtt180 -139.84 133.42 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.38 -168.36 40.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.411 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 8.5 mt -79.61 172.13 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.0 mt -138.56 131.17 16.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.707 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.89 13.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.83 -15.43 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -91.85 -1.38 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.99 31.39 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 7.9 pt -149.2 175.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 96.4 m -138.56 115.83 11.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.73 154.71 85.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.82 121.6 29.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.03 155.9 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.23 139.31 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.61 98.53 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.23 -36.89 83.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.22 150.46 51.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.57 127.59 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -126.02 149.88 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 759' ' ' GLY . 86.9 m -126.69 91.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.44 138.54 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 1.6 mpt_? -82.2 -32.75 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 73.8 p -144.14 178.14 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.06 -54.15 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -42.08 -41.84 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.72 148.64 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 41.0 mt -102.75 169.69 8.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 89.9 p -129.51 124.02 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -147.44 157.17 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -104.53 143.77 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -37.37 128.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 104.72 -35.57 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.07 111.68 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.72 144.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.42 137.21 45.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -81.55 125.92 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 48.3 mt -95.99 94.26 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.507 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 9.1 m170 -53.01 -60.45 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -162.04 147.81 13.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -45.59 134.91 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.848 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -104.22 -42.74 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.72 -175.07 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 22.7 t -54.57 -51.33 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.28 40.14 3.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -148.94 160.35 43.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -138.43 -178.57 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.848 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 28.9 mtt180 -129.82 115.3 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.507 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -143.61 -177.62 18.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -133.72 121.85 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.483 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.6 t-160 -79.77 -177.1 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . 0.483 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 65.4 t30 -67.13 73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.84 -11.02 34.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.467 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 30.6 mtm -115.45 161.39 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -143.18 136.73 28.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.48 -163.76 34.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.443 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 9.7 mt -82.96 176.93 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 48.9 mt -144.74 131.01 9.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.87 5.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.0 t60 -68.71 -21.52 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -78.36 -38.61 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . 0.419 ' O ' ' CG2' ' A' ' 800' ' ' ILE . 13.7 m-85 -90.72 42.72 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 799' ' ' TYR . 21.1 pt -157.76 165.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 80.0 m -134.51 102.88 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 68.1 mt -67.27 151.8 96.78 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.395 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.97 119.06 37.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -121.27 147.92 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.43 136.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -77.11 112.04 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.53 -39.01 86.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.8 162.84 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.75 126.43 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -117.28 153.23 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 759' ' ' GLY . 85.2 m -126.92 89.79 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.57 129.8 0.76 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -71.66 -41.72 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.6 p -134.07 172.15 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.83 -44.46 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -50.88 -43.63 59.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.93 147.08 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.455 HD11 ' H ' ' A' ' 793' ' ' GLY . 57.5 mt -102.54 172.53 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 69.7 p -133.6 154.01 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -171.72 169.78 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 -113.77 149.77 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -42.0 128.25 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.05 -35.96 4.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.17 112.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 42.5 t -70.08 144.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.14 133.39 42.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -83.04 125.0 30.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.444 HD13 ' CE3' ' A' ' 784' ' ' TRP . 56.9 mt -94.63 86.88 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -50.76 -48.25 59.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -153.8 177.79 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.474 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.3 tpt180 -96.39 86.89 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.89 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -46.92 -54.18 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.2 t -148.2 -177.09 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.2 t -72.5 -20.3 61.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.8 -19.9 9.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -115.52 157.56 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.546 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 48.0 m95 -132.12 166.76 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.89 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 48.1 mtp180 -109.12 122.15 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.68 172.37 28.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -137.62 111.66 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -85.12 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -52.92 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.28 79.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 14.2 mtp -127.05 147.22 50.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -143.24 121.27 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . 0.455 ' H ' HD11 ' A' ' 765' ' ' LEU . . . -175.71 -155.03 12.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 13.9 mt -87.5 177.96 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mt -150.09 132.5 8.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.685 0.755 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.4 Cg_endo -69.81 124.46 11.09 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.432 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 29.7 t60 -77.05 -14.44 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -85.75 -32.09 22.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.2 18.58 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 800' ' ' ILE . 2.7 pp -144.35 153.58 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.2 m -123.31 121.92 37.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.546 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 90.5 mt -80.11 152.75 74.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.778 0.323 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.67 136.71 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -127.55 154.97 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 86.6 t -101.64 131.67 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.42 104.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 799' ' ' TYR . 2.0 t -59.98 -48.47 81.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.94 149.58 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.1 134.66 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.02 156.22 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -133.36 95.01 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.53 127.63 2.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -73.3 -42.31 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.3 p -127.38 170.33 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.46 -36.69 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -55.42 -45.69 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.617 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.2 OUTLIER -81.48 162.91 23.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 39.9 mt -115.04 176.49 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . 0.512 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 5.1 t -136.22 147.17 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -169.57 159.4 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 769' ' ' ARG . 31.2 mtp180 -104.5 141.5 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 768' ' ' ARG . 73.4 ttt180 -35.16 124.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 109.1 -37.52 3.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.49 113.9 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 57.2 t -74.56 140.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.39 131.03 48.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -77.34 125.25 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.665 HD13 ' CE3' ' A' ' 784' ' ' TRP . 64.0 mt -89.33 94.99 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 785' ' ' ARG . 13.9 m170 -57.69 -56.72 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.01 159.64 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 6.9 tpp180 -73.39 80.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.926 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -43.45 -61.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 7.8 t -136.77 -175.01 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.0 t -78.34 -16.48 57.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -123.01 -17.83 6.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -116.28 161.38 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.665 ' CE3' HD13 ' A' ' 775' ' ' LEU . 46.4 m95 -130.6 171.41 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.926 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 17.1 mtt-85 -119.43 114.67 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.17 -179.77 18.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -134.64 112.38 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.5 t-160 -79.82 -176.89 5.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -55.3 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.86 12.37 67.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.4 mmm -127.2 153.21 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -138.33 132.7 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.96 -158.67 23.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.617 HD12 ' OE1' ' A' ' 764' ' ' GLU . 19.8 mt -86.44 177.53 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 53.9 mt -148.61 132.49 8.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.401 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.82 125.17 11.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 38.3 t60 -78.51 -3.39 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -95.65 -30.67 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 754' ' ' CYS . 2.6 m-85 -97.51 10.82 38.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.707 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -133.02 132.96 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 69.8 m -103.1 115.85 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.434 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 24.8 mt -70.04 156.28 92.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.795 0.331 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -93.93 138.94 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -132.36 157.68 43.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.73 140.26 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.69 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.1 t -73.89 -44.9 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -130.19 145.23 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.16 118.55 7.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -113.93 151.94 31.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.9 m -131.42 98.85 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.24 131.93 10.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -69.88 -40.1 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 68.0 p -139.14 -179.09 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -49.02 -46.66 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -48.85 -37.18 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -98.34 144.72 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.53 -179.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 6.0 m -141.6 126.3 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -150.92 158.68 44.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -103.93 147.17 27.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -39.71 127.66 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.81 -32.85 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.38 114.83 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 51.0 t -75.49 148.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.4 135.36 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -81.49 129.07 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.423 HD13 ' CE3' ' A' ' 784' ' ' TRP . 21.7 mt -93.42 96.96 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.8 m170 -56.5 -54.3 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -165.91 157.58 14.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -61.81 128.03 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.849 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -96.64 -42.62 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -148.39 -177.01 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.0 t -66.05 -28.89 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.93 35.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -148.85 174.74 11.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 70.5 m95 -150.24 174.6 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.849 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 58.4 mtt180 -124.9 113.24 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -142.0 176.61 21.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.4 t-160 -79.73 -177.09 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -66.93 73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.3 -11.19 36.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 13.3 mmm -115.16 161.53 18.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -143.28 135.87 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 175.51 -163.57 33.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.447 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 10.4 mt -81.29 -179.86 7.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 52.4 mt -150.55 130.23 6.62 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.96 10.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 17.1 t60 -74.81 -10.09 59.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . 0.532 ' HD2' ' CE1' ' A' ' 799' ' ' TYR . 2.7 tmtm? -86.6 -38.13 17.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' A' ' 798' ' ' LYS . 3.1 m-85 -90.31 37.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 17.4 pt -152.18 164.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 28.1 m -133.75 93.63 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.525 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 58.8 mt -57.29 155.42 18.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.874 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.789 0.328 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.4 124.02 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.75 160.18 20.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.31 144.0 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -80.3 95.19 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.8 t -51.37 -42.44 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -137.11 155.52 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.58 136.3 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -132.2 153.38 50.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 759' ' ' GLY . 99.9 m -130.17 90.85 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.01 133.17 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -78.56 -39.1 38.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 75.0 p -130.46 169.36 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.92 -46.96 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.43 -49.33 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.98 155.27 32.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 56.4 mt -107.51 173.22 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 28.5 p -132.62 135.46 45.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -158.22 160.22 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 769' ' ' ARG . 45.9 mtp180 -104.9 141.29 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 768' ' ' ARG . 25.3 ttt180 -34.32 126.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 103.24 -37.05 3.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.85 113.2 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.95 149.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.62 130.08 27.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -79.63 121.95 25.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.569 HD13 ' CE3' ' A' ' 784' ' ' TRP . 60.8 mt -85.19 89.92 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.7 m170 -57.3 -40.35 77.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -157.38 167.48 30.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 4.8 tpt180 -104.35 86.11 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.676 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -46.34 -56.58 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 72.4 p -147.74 178.64 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 40.5 t -72.77 -12.78 61.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -112.59 -27.62 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.36 159.25 24.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 778' ' ' ARG . 61.5 m95 -130.64 177.67 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.676 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 64.4 mtt180 -128.19 116.07 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.76 177.52 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . 0.422 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.2 tt0 -131.36 112.54 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.76 -176.75 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.48 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.58 69.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.1 mtt -127.27 152.74 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -138.29 130.07 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -177.4 -164.85 31.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.57 -178.86 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 32.3 mt -152.93 132.67 7.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.564 ' O ' HG23 ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.81 125.93 12.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 14.1 t60 -77.29 -19.83 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -86.64 -33.27 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -92.08 32.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 796' ' ' PRO . 19.4 pt -146.18 161.42 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 40.4 m -125.82 101.03 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.69 151.78 96.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.184 0 C-N-CA 122.616 2.211 . . . . 0.0 112.376 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 129.53 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.12 37.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.38 141.04 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.24 105.06 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 5.8 p -64.04 -35.99 82.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -129.27 168.75 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.7 121.9 34.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.92 150.26 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 759' ' ' GLY . 88.6 m -126.11 87.68 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.36 139.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -87.68 -28.95 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 24.4 p -139.91 178.43 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.19 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 764' ' ' GLU . 20.9 pt20 -40.92 -45.92 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 763' ' ' GLN . 73.9 mt-10 -78.23 147.39 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.457 HD21 ' C ' ' A' ' 792' ' ' ARG . 68.7 mt -103.61 170.71 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 54.7 p -131.92 120.18 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . 0.443 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 3.1 p90 -146.19 156.6 43.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -103.15 154.66 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 769' ' ' ARG . 17.8 ttp-105 -44.56 129.48 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.66 -33.13 6.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.23 111.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . 0.488 ' O ' HD23 ' A' ' 773' ' ' LEU . 94.9 t -69.43 150.78 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.7 OUTLIER -141.75 131.23 23.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -80.8 114.79 19.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.36 99.29 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.412 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 13.8 m170 -59.7 -61.49 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -161.13 150.9 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -50.13 129.67 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.871 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -96.75 -45.14 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 m -146.99 -175.02 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 92.6 p -55.73 -40.68 72.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.13 42.98 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -148.95 166.54 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -141.42 170.2 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.871 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 80.8 mtt180 -120.55 110.52 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -137.1 -176.93 14.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.85 113.79 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 3.0 t-160 -79.87 -177.17 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -57.57 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.92 9.63 63.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 28.7 mtm -127.12 153.59 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . 0.457 ' C ' HD21 ' A' ' 765' ' ' LEU . 71.7 mtm-85 -138.02 136.28 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.13 -167.46 39.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.458 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 7.8 mt -80.89 178.13 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mt -144.7 130.12 9.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 32.4 t60 -74.8 0.64 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -100.43 -25.66 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -102.05 28.3 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 14.7 pt -142.13 167.36 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.0 m -134.87 96.08 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.61 157.38 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -79.52 129.0 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -121.66 159.71 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.96 145.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -89.63 100.68 13.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 15.4 p -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.04 174.68 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.83 127.8 38.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . 0.409 ' CG ' ' HG3' ' A' ' 796' ' ' PRO . 56.3 t80 -117.58 157.61 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.9 m -134.09 96.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.15 131.01 10.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -76.76 -42.45 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 45.0 p -128.39 165.63 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.97 -46.16 8.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -48.66 -48.27 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.76 149.81 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 65.8 mt -103.99 178.06 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 29.4 p -142.86 138.48 30.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -156.83 158.96 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -98.16 161.53 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 769' ' ' ARG . 19.1 ttp-105 -53.96 124.89 16.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.5 -33.45 6.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.63 112.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.87 144.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.52 132.31 40.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -79.95 113.27 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 751' ' ' ALA . 26.9 mt -86.49 92.08 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 785' ' ' ARG . 10.9 m170 -52.21 -63.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.42 158.87 38.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -63.19 107.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.939 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -70.35 -53.3 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.2 t -166.26 -175.04 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 3.8 m -61.78 123.46 18.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.0 26.48 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -150.12 147.27 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.597 ' HE1' ' HD1' ' A' ' 797' ' ' HIS . 55.5 m95 -132.57 177.03 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.939 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 20.9 mtp180 -123.76 113.94 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.04 -176.04 15.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -137.58 111.09 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 791' ' ' MET . 2.9 t-160 -80.43 -176.59 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.38 93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.56 71.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.402 ' HB2' ' HB3' ' A' ' 788' ' ' HIS . 5.6 mtp -127.38 147.53 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -136.45 134.21 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.13 -164.31 37.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.01 173.24 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.481 HG23 ' HD2' ' A' ' 796' ' ' PRO . 96.0 mt -145.44 133.81 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.481 ' HD2' HG23 ' A' ' 795' ' ' ILE . 53.7 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.648 ' HA ' HD11 ' A' ' 800' ' ' ILE . 84.4 t60 -69.04 -20.86 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -76.32 -36.7 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 800' ' ' ILE . 15.5 m-85 -93.49 36.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -159.03 157.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -134.61 102.92 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.571 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.3 mp -51.27 157.9 1.48 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 77.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -118.49 128.84 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.752 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -114.81 141.67 47.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.9 132.24 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.12 105.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.7 t -63.97 -41.13 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -140.5 170.95 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.68 125.06 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -125.2 159.96 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.1 m -135.44 104.96 6.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.37 126.47 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -69.83 -35.43 74.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 53.9 p -140.94 171.62 13.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.57 -32.93 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . 0.626 ' HG2' HD12 ' A' ' 794' ' ' LEU . 6.0 tt0 -64.66 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.86 154.84 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 57.3 mt -105.57 164.88 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 12.1 t -129.21 149.88 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 773' ' ' LEU . 13.3 p90 -168.78 169.14 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 33.8 mtt180 -115.79 139.58 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 47.6 ttp180 -34.42 126.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.32 -36.76 4.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -68.05 113.89 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . 0.5 ' O ' HD23 ' A' ' 773' ' ' LEU . 95.0 t -69.83 156.81 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.5 OUTLIER -145.52 126.8 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -58.86 151.06 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 751' ' ' ALA . 44.6 mt -122.06 85.6 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.475 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.7 m170 -52.7 -66.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 24.1 tt0 -158.47 148.57 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 6.1 tpt180 -53.35 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.873 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -67.42 -53.43 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -137.89 -175.31 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.4 t -61.52 -39.04 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.29 37.76 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -150.07 160.15 43.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 797' ' ' HIS . 65.6 m95 -135.7 164.01 28.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.873 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 11.4 mtt180 -115.22 115.75 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.475 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -143.45 -176.07 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.83 113.1 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 791' ' ' MET . 3.7 t-160 -82.72 -176.69 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -52.09 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.05 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 788' ' ' HIS . 4.9 mmm -127.32 150.74 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -139.51 132.51 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.76 -161.73 32.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.626 HD12 ' HG2' ' A' ' 763' ' ' GLN . 16.4 mt -83.88 174.31 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 796' ' ' PRO . 94.3 mt -147.52 134.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 795' ' ' ILE . 54.0 Cg_endo -69.74 123.69 10.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.445 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 38.9 t60 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -83.89 -37.04 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -93.15 28.4 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -151.04 135.6 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.0 m -108.41 109.35 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.425 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 86.3 mt -63.59 151.01 89.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.833 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.844 0.354 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -100.71 122.51 43.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -115.33 145.38 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.63 133.07 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.62 108.75 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.62 -42.11 95.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.81 143.88 35.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.06 120.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -117.65 149.89 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 89.6 m -125.73 90.8 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.65 130.42 0.56 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -72.76 -43.83 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 66.7 p -128.01 169.59 13.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.36 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -50.08 -46.26 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.582 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -82.86 148.13 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 58.0 mt -98.06 173.19 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 55.9 m -136.2 122.74 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' A' ' 773' ' ' LEU . 11.0 p90 -141.46 154.16 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -91.04 150.06 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -42.66 123.73 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 99.95 -33.91 5.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -52.22 113.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . 0.494 ' O ' HD23 ' A' ' 773' ' ' LEU . 78.0 t -69.41 155.06 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 772' ' ' VAL . 2.7 mt -144.05 135.49 25.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -79.32 121.76 25.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' ' 751' ' ' ALA . 47.6 mt -91.81 98.65 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.484 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.9 m170 -63.91 -51.01 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -47.8 136.48 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.535 ' HB1' HD22 ' A' ' 794' ' ' LEU . . . -102.69 -40.73 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.1 t -159.69 -175.17 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 80.3 p -53.87 -36.52 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.96 41.79 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -150.39 158.25 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -135.42 167.27 21.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.5 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 60.2 mtt85 -115.89 108.54 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.484 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -138.9 -172.87 12.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -137.58 121.37 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -79.44 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.95 72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.23 -16.09 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.413 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.5 mtt -109.58 159.76 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -144.06 129.2 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.59 -155.74 17.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.582 HD12 ' OE1' ' A' ' 764' ' ' GLU . 5.2 mt -85.94 175.12 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 796' ' ' PRO . 89.0 mt -145.24 134.0 11.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 795' ' ' ILE . 53.9 Cg_endo -69.77 121.89 8.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 8.2 t60 -72.16 -22.28 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.98 -38.07 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -91.07 27.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.714 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -151.71 135.06 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.5 m -105.25 110.34 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 751' ' ' ALA . 24.6 mt -73.37 152.68 90.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.796 0.331 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.21 116.56 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.531 ' HB2' HD23 ' A' ' 802' ' ' LEU . . . -112.62 152.8 28.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.93 150.32 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -93.1 98.27 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 29.3 p -61.25 -38.61 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -125.09 157.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -81.19 127.35 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -119.26 150.14 40.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.6 m -131.69 88.61 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 149.75 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -97.14 -35.49 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 12.2 p -119.69 178.72 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.63 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -53.02 -43.46 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.63 132.57 37.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 55.1 mt -91.06 176.77 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . 0.423 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 50.8 p -139.55 127.87 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . 0.529 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 9.7 p90 -150.05 156.61 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -99.97 156.32 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -46.75 126.61 8.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.56 -24.8 30.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.21 111.94 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 41.5 t -72.69 141.61 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.56 128.81 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -78.04 125.1 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.51 HD11 ' CD2' ' A' ' 802' ' ' LEU . 41.7 mt -91.73 88.7 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -58.9 -48.27 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.73 174.53 12.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 8.0 tpt180 -106.96 92.87 4.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.433 ' HB2' ' CG ' ' A' ' 785' ' ' ARG . . . -53.23 -54.78 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -144.68 -178.91 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 38.9 m -74.24 -11.97 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -118.23 -27.05 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -112.68 158.87 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.599 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 50.8 m95 -133.94 165.46 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 779' ' ' ALA . 17.0 mtm180 -111.57 109.28 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -139.54 178.6 19.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.3 137.2 52.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 1.8 t-160 -107.27 -177.03 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.48 95.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 11.44 66.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.443 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 22.2 mtp -127.16 158.92 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 792' ' ' ARG . 14.3 mtp-105 -147.14 128.99 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -179.19 -159.62 23.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 42.0 mt -78.76 -179.5 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -152.22 132.48 7.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.497 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.79 125.84 12.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 11.4 t60 -79.35 -16.16 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -87.79 -28.28 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -97.02 14.07 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.6 pp -140.71 153.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.1 m -121.11 116.34 24.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.599 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 96.0 mt -72.98 152.89 90.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.832 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.76 0.314 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.51 121.96 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.67 157.9 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.28 138.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.42 104.71 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.5 -55.9 25.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.24 143.92 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.64 122.61 13.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.72 151.24 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -132.27 94.05 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.65 129.09 7.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -75.67 -40.16 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.7 p -125.58 168.43 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.85 -47.32 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -47.91 -49.52 29.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -79.67 135.12 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 792' ' ' ARG . 34.7 mt -89.31 176.91 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 5.2 t -132.77 146.81 52.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -173.17 155.8 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 769' ' ' ARG . 2.4 mpt_? -106.16 144.92 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 768' ' ' ARG . 45.7 ttp85 -36.43 125.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 105.12 -37.85 3.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.0 115.46 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.68 147.14 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.09 126.14 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -78.39 115.5 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.492 HD13 ' CE3' ' A' ' 784' ' ' TRP . 32.4 mt -84.15 95.18 8.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.5 m170 -53.46 -47.66 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -160.73 170.49 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.598 ' CD ' ' CZ2' ' A' ' 784' ' ' TRP . 6.2 tpp85 -83.98 77.31 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.903 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -43.73 -61.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 34.7 t -141.53 173.67 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.9 p -65.0 -25.08 67.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.54 -28.97 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -106.31 158.22 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.62 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 41.2 m95 -135.78 159.01 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.903 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 1.4 mmm180 -101.72 120.25 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.84 173.86 27.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -142.63 111.0 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -85.89 -176.77 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -52.9 96.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.47 17.51 74.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 2.1 mtt -127.1 143.01 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . 0.407 ' N ' HD21 ' A' ' 765' ' ' LEU . 53.8 mtm180 -140.52 125.12 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 177.13 -160.31 27.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.82 178.59 7.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.2 mt -150.66 132.43 7.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.36 8.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 18.4 t60 -73.16 -6.24 44.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -90.21 -37.22 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.75 16.76 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.6 pp -139.7 139.02 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 74.5 m -111.67 109.61 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.62 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 75.2 mt -65.02 154.71 86.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -83.78 126.92 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.77 161.95 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 137.2 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.23 110.55 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 30.5 t -73.9 -31.13 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -137.96 159.64 41.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -80.01 129.65 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -122.01 152.58 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.6 m -132.31 93.28 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -45.9 124.57 7.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -76.58 -31.53 57.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 54.5 p -138.8 167.5 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.52 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -54.45 -40.67 68.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -94.34 135.17 36.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.01 -179.7 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 88.2 p -142.19 128.65 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -154.48 166.53 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -109.5 151.33 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -43.77 127.08 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.99 -29.77 11.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -59.45 113.7 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 29.3 t -73.61 145.14 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.54 134.06 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -76.19 123.89 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.532 HD13 ' CE3' ' A' ' 784' ' ' TRP . 37.7 mt -90.81 90.51 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.557 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.1 m170 -53.59 -60.36 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.82 142.88 6.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -52.86 122.44 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.914 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -85.87 -47.15 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.9 m -135.52 -176.33 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 88.4 p -61.18 -32.22 71.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.13 40.56 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -148.41 169.8 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.76 ' HE1' ' HD1' ' A' ' 797' ' ' HIS . 57.8 m95 -144.32 172.03 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.914 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 60.5 mtt180 -125.67 110.87 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.557 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -139.13 -175.64 14.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -132.88 121.83 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -79.67 -176.99 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.1 70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 113.62 -13.29 22.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -115.36 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -146.84 136.22 22.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.49 -165.72 38.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.543 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 9.7 mt -74.43 168.97 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 88.4 mt -141.6 131.67 12.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.26 11.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.76 ' HD1' ' HE1' ' A' ' 784' ' ' TRP . 75.4 t60 -74.94 -30.69 61.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.05 1.91 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.7 34.6 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 797' ' ' HIS . 6.9 pt -153.74 178.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 97.9 m -151.21 105.03 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.4 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.4 mp -59.99 157.84 28.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.804 0.335 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.7 125.42 34.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -122.78 147.22 46.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.75 130.76 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.61 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . 0.411 ' SG ' ' CE2' ' A' ' 755' ' ' PHE . 23.6 p -61.23 -34.24 74.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 799' ' ' TYR . 15.2 m-85 -136.12 167.39 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -84.04 133.31 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -128.99 154.23 46.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 759' ' ' GLY . 80.3 m -128.01 94.57 3.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.65 128.87 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.553 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -69.95 -45.47 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.5 p -130.94 168.51 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.71 -43.39 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.33 -48.42 55.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.645 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.2 OUTLIER -76.29 161.92 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.452 HD12 HG13 ' A' ' 795' ' ' ILE . 28.4 mt -109.41 162.15 14.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 35.7 p -125.6 128.56 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . 0.443 ' HB3' ' CD2' ' A' ' 788' ' ' HIS . 1.1 p90 -155.54 166.09 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.25 157.66 21.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 769' ' ' ARG . 3.0 tmt_? -41.29 136.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 87.64 -26.4 7.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.41 111.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.77 141.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 788' ' ' HIS . 0.3 OUTLIER -136.49 136.53 39.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -88.69 123.93 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.586 HD13 ' CE3' ' A' ' 784' ' ' TRP . 26.9 mt -85.57 101.41 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.552 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 18.0 m170 -64.67 -49.93 69.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -155.36 159.44 39.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.494 ' HD3' ' CZ3' ' A' ' 784' ' ' TRP . 5.4 tpp85 -76.07 80.07 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.81 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -43.83 -61.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.5 t -140.89 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 81.4 p -73.2 -22.32 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -119.44 -13.23 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -118.27 164.89 14.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.586 ' CE3' HD13 ' A' ' 775' ' ' LEU . 71.0 m95 -138.33 164.51 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.81 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 4.7 mmm180 -117.79 114.64 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -152.26 -177.65 26.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -132.38 122.87 25.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . 0.523 ' CE1' HD23 ' A' ' 773' ' ' LEU . 0.4 OUTLIER -79.72 -176.76 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -66.19 72.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 788' ' ' HIS . . . 110.53 -13.82 30.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 2.2 mmt -110.96 157.69 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . 0.41 ' C ' HD21 ' A' ' 765' ' ' LEU . 51.2 mtp180 -141.17 136.54 31.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 165.19 -161.97 35.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.645 HD12 ' OE1' ' A' ' 764' ' ' GLU . 8.0 mt -76.38 179.49 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.452 HG13 HD12 ' A' ' 765' ' ' LEU . 49.9 mt -150.52 128.94 5.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.144 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.65 5.81 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.4 t60 -69.76 -18.67 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.17 -33.69 50.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . 0.486 ' CD2' ' HB2' ' A' ' 755' ' ' PHE . 18.0 m-85 -95.77 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 799' ' ' TYR . 18.9 pt -159.79 153.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 51.5 m -121.98 90.99 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 33.7 mt -43.64 154.67 0.34 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . 0.491 ' CG1' ' HG3' ' A' ' 803' ' ' PRO . 87.2 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.59 137.85 32.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -138.08 148.2 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.32 137.87 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -74.46 115.77 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 755' ' ' PHE . 4.2 m -58.54 -46.98 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 754' ' ' CYS . 76.7 m-85 -136.12 174.34 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.01 122.03 25.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -115.28 149.93 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.3 m -129.02 93.29 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.05 130.14 6.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -72.6 -41.61 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 67.3 p -137.8 174.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.2 -54.52 5.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.66 -45.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.21 163.65 17.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.508 HD21 ' C ' ' A' ' 792' ' ' ARG . 53.2 mt -116.14 165.21 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.5 p -126.34 126.83 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -153.26 151.29 29.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 768' ' ' ARG . 0.3 OUTLIER -90.67 153.04 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.8 126.12 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.59 -35.13 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -52.09 112.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . 0.454 ' O ' HD23 ' A' ' 773' ' ' LEU . 63.4 t -67.05 153.61 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.9 OUTLIER -141.88 144.93 34.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -91.72 113.07 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 48.4 mt -83.85 88.74 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.1 m170 -48.36 -60.81 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -164.12 148.16 9.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -45.22 131.08 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.827 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -101.94 -43.36 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -150.59 -174.96 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 36.6 p -57.09 -48.76 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.1 39.77 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -150.01 160.67 43.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.415 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 59.0 m95 -138.79 175.13 9.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.827 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 22.4 mtp180 -119.21 117.07 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -144.95 179.66 21.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.81 137.72 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -109.78 -176.86 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -54.05 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.77 13.1 68.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.4 mmt -127.17 156.53 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . 0.508 ' C ' HD21 ' A' ' 765' ' ' LEU . 78.1 mtt180 -148.96 134.05 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.51 -155.18 18.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.48 174.67 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.86 130.99 11.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . 0.451 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.2 Cg_endo -69.77 123.08 9.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 10.4 t60 -75.07 -13.37 60.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -86.87 -33.68 19.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.7 23.84 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -146.07 154.59 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.6 m -119.34 112.92 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 775' ' ' LEU . 71.9 mt -78.12 151.14 78.42 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . 0.491 ' HG3' ' CG1' ' A' ' 749' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.795 0.331 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -100.87 120.72 40.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.5 164.0 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 91.4 t -108.33 150.76 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -86.33 106.55 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.93 -43.0 86.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -137.89 166.54 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -78.69 124.46 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -119.6 153.98 34.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 91.2 m -128.74 89.88 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.4 131.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 0.7 OUTLIER -72.92 -43.72 62.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 56.4 p -127.66 174.36 9.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.98 -43.55 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.14 -49.27 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.2 158.13 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' LEU . . . . . 0.404 HD11 ' H ' ' A' ' 793' ' ' GLY . 47.8 mt -114.1 162.65 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 8.0 t -124.35 148.11 47.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -168.89 159.83 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 3.8 mpt_? -102.96 142.1 34.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 2.7 tmm_? -34.45 129.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.81 -39.46 2.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.39 111.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 773' ' ' LEU . 91.5 t -65.28 153.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' LEU . . . . . 0.421 ' N ' HG12 ' A' ' 772' ' ' VAL . 1.5 mt -140.88 126.18 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 -78.17 124.26 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.612 HD13 ' CE3' ' A' ' 784' ' ' TRP . 57.6 mt -89.88 87.22 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 785' ' ' ARG . 11.0 m170 -57.83 -44.19 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.19 162.76 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' ARG . . . . . 0.586 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 6.7 tpt180 -97.29 82.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -44.23 -60.35 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.3 t -141.83 178.08 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 69.8 m -69.21 -23.27 63.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.87 -21.77 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -115.95 155.04 28.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 784' ' ' TRP . . . . . 0.612 ' CE3' HD13 ' A' ' 775' ' ' LEU . 60.9 m95 -130.24 172.06 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 785' ' ' ARG . . . . . 0.663 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 61.9 mtt-85 -120.67 110.18 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.82 179.37 18.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 787' ' ' GLU . . . . . 0.402 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.8 tt0 -135.74 111.38 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.78 -176.94 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.68 98.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.81 11.03 65.47 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 33.7 mtm -127.13 150.47 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -139.78 129.93 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' GLY . . . . . 0.404 ' H ' HD11 ' A' ' 765' ' ' LEU . . . -178.61 -160.89 25.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.54 -179.93 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -151.13 132.77 7.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 128.52 16.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 24.2 t60 -81.52 -2.38 49.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -99.36 -30.25 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.95 27.67 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.01 158.21 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -127.89 101.97 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.93 151.54 95.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.815 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 6.2 t 70.95 43.02 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 88.3 p -82.62 -51.02 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 64.5 158.2 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 3.6 m -127.78 103.64 7.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 7.1 t -72.56 87.58 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -165.53 -71.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -114.52 104.55 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -144.9 141.28 9.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 57.3 t -148.47 130.75 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 111.116 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 93.3 t -116.43 122.05 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -85.71 119.08 25.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -117.95 151.02 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 98.6 t -103.6 135.27 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.35 101.7 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 1.9 t -56.66 -34.84 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 44.3 m-85 -148.07 153.58 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.57 124.75 21.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 758' ' ' THR . 38.5 t80 -121.99 158.62 28.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 757' ' ' TYR . 77.2 m -139.23 106.04 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -48.37 126.91 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -65.21 -40.97 94.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.0 p -131.73 173.23 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.3 -39.57 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.072 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -55.07 -47.88 74.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.15 161.49 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 43.9 mt -113.53 171.7 7.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . 0.439 ' O ' ' ND1' ' A' ' 788' ' ' HIS . 22.7 t -132.21 151.4 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 7.1 p90 -174.71 156.52 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 769' ' ' ARG . 61.3 mtt-85 -100.97 140.8 34.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 768' ' ' ARG . 1.9 tmt_? -35.14 129.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . 0.441 ' N ' ' HD3' ' A' ' 769' ' ' ARG . . . 101.0 -29.28 12.86 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.74 114.19 4.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 50.1 t -70.32 151.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.01 133.19 26.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -78.49 121.14 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 36.8 mt -91.4 90.95 7.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' A' ' 785' ' ' ARG . 16.7 m170 -47.19 -61.57 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -168.1 146.69 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.631 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 9.4 tpp180 -38.99 141.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.797 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -117.5 -39.82 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.2 t -151.89 -175.05 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.5 t -60.68 -38.8 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.1 36.93 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -149.46 162.7 39.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.631 ' CZ2' ' CZ ' ' A' ' 778' ' ' ARG . 40.1 m95 -139.82 -179.02 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.797 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 23.0 mtt-85 -125.09 115.49 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -141.33 178.83 20.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -132.91 113.57 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.2 t-160 -81.73 -177.22 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -57.92 99.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.0 9.08 62.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 36.6 mtm -127.05 153.22 46.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -141.38 130.4 23.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -178.9 -158.81 22.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.94 171.08 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.8 mt -141.01 132.51 13.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.8 Cg_endo -69.76 125.21 11.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 66.2 t60 -79.42 -8.45 59.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -93.71 -30.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.82 3.34 55.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.563 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.5 pp -128.21 139.09 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.8 m -111.38 115.52 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.678 ' HB2' HG22 ' A' ' 806' ' ' THR . 78.6 mt -64.77 152.91 89.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.588 0.709 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.65 33.73 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -47.9 109.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 117.36 40.92 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.678 HG22 ' HB2' ' A' ' 802' ' ' LEU . 66.3 p -45.67 171.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.126 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.92 105.33 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -119.07 -35.53 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . 0.431 ' N ' ' HG2' ' A' ' 808' ' ' LYS . 29.8 mt-30 51.33 45.65 27.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 65.4 t -111.6 101.25 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 34.3 m -43.97 146.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 132.62 151.24 6.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -168.0 116.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 111.083 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 16.1 m -130.95 110.95 11.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.808 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.1 t -118.97 146.17 45.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 96.05 135.13 8.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 27.3 m -155.81 136.33 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.5 m -108.16 44.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -156.27 85.85 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -127.7 141.73 51.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -162.12 126.96 1.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 43.9 t -136.22 134.4 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.14 135.93 57.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -99.9 127.94 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.8 158.17 34.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.04 135.19 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.42 132.97 44.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 4.4 t -91.92 -36.75 13.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -137.08 147.5 46.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.24 126.9 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -122.12 154.75 36.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 759' ' ' GLY . 98.0 m -133.18 90.67 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.94 125.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.452 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.46 -43.92 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.3 p -129.47 171.7 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.07 -42.9 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.91 -47.83 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.78 152.33 28.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 63.7 mt -108.27 161.85 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 50.7 p -125.84 116.57 21.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -130.37 158.59 39.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -95.77 150.46 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -44.21 129.72 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 82.83 11.83 80.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.01 117.7 25.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 98.4 t -71.73 145.15 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.31 167.41 22.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . 0.41 ' O ' ' CA ' ' A' ' 786' ' ' GLY . 54.6 mtt180 -118.22 123.87 46.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.445 HD13 ' CE3' ' A' ' 784' ' ' TRP . 47.6 mt -90.1 93.63 9.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.0 m170 -59.36 -46.63 88.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -155.06 160.5 41.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.58 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.5 tpt180 -88.82 91.72 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.764 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -51.26 -55.68 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.3 m -142.39 -175.5 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 43.5 t -75.71 -9.03 58.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.07 -27.18 3.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -110.05 152.21 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.58 ' CZ2' ' HD3' ' A' ' 778' ' ' ARG . 57.3 m95 -128.59 168.18 16.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.764 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 72.6 mtt180 -117.99 115.14 24.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 774' ' ' ARG . . . -143.82 -174.36 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -137.15 123.7 20.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.896 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -79.84 -177.22 5.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.92 71.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 112.87 -10.57 25.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.426 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.435 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.7 mmm -118.4 162.37 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.827 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . 0.402 ' C ' HD21 ' A' ' 765' ' ' LEU . 67.6 mtp180 -140.99 138.65 33.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.2 -168.41 41.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.07 176.53 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 51.7 mt -148.2 131.77 8.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 111.137 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.419 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.9 Cg_endo -69.78 128.67 16.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 9.0 t60 -78.96 -15.44 58.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -84.44 -32.78 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -96.5 22.71 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.453 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.5 pp -147.01 144.98 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.6 m -111.84 103.33 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.517 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 80.9 mt -60.28 151.38 68.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.718 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . 0.746 ' O ' HG23 ' A' ' 806' ' ' THR . 53.8 Cg_endo -69.79 172.62 12.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.336 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -38.76 -58.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . -63.31 97.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 803' ' ' PRO . 35.4 p -138.58 146.04 41.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.729 0.299 . . . . 0.0 111.126 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -98.93 87.64 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -148.51 160.01 43.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . 0.705 ' HG2' HG23 ' A' ' 810' ' ' VAL . 47.0 tt0 -98.74 133.8 42.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . 0.705 HG23 ' HG2' ' A' ' 809' ' ' GLN . 6.3 t 66.35 51.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 9.0 p -46.46 141.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 813' ' ' ALA . . . -77.19 124.96 7.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 812' ' ' GLY . . . -34.52 119.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 3.9 m -158.94 134.95 8.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.1 m -135.47 171.79 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -71.63 -178.29 29.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 32.8 m -98.11 160.43 14.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 50.8 m -99.13 109.33 22.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -140.67 -156.51 6.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -106.06 40.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 107.26 163.87 21.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . 0.808 HG11 ' HD2' ' A' ' 774' ' ' ARG . 33.9 t -111.66 139.38 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.39 117.96 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -98.54 122.99 42.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.56 161.23 18.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 772' ' ' VAL . 99.7 t -107.19 136.07 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.25 103.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 755' ' ' PHE . 12.3 t -67.79 -27.98 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 754' ' ' CYS . 43.7 m-85 -149.1 151.45 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.98 127.68 34.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -127.63 153.99 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 90.3 m -129.46 99.43 5.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 134.9 3.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -80.04 -35.52 37.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 63.2 p -134.06 160.91 36.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -40.92 -46.39 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -48.35 -41.94 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.85 145.79 26.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.676 HD21 ' CA ' ' A' ' 792' ' ' ARG . 40.2 mt -93.45 177.73 5.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.1 p -139.41 112.48 8.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -132.4 160.3 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -104.69 154.17 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -45.79 122.5 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 106.61 -31.9 7.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.49 115.53 3.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 752' ' ' VAL . 43.7 t -77.25 143.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.07 135.26 45.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . 0.808 ' HD2' HG11 ' A' ' 748' ' ' VAL . 2.8 ttt-85 -85.71 116.78 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 784' ' ' TRP . 44.4 mt -85.58 96.25 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.517 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 9.1 m170 -49.69 -55.6 13.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 778' ' ' ARG . 6.3 tp10 -168.26 149.72 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 777' ' ' GLU . 5.6 tpt180 -50.99 121.81 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.89 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -92.09 -48.22 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.1 -174.98 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 1.5 t -63.73 -43.16 97.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.11 35.69 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -150.01 160.76 43.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.412 ' CD2' HD13 ' A' ' 775' ' ' LEU . 54.6 m95 -139.2 170.47 15.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.89 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 5.4 mmt85 -113.79 127.42 56.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.517 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -154.61 177.92 31.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -137.77 120.19 15.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.485 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.1 t-160 -79.69 -177.03 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . 0.485 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 0.3 OUTLIER -66.8 72.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.64 27.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.417 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 31.3 mtm -112.4 162.57 15.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . 0.676 ' CA ' HD21 ' A' ' 765' ' ' LEU . 50.1 mtm180 -147.03 137.53 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.34 -165.06 37.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.0 mt -81.68 168.96 17.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 43.0 mt -136.41 132.53 18.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 121.63 8.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 34.5 t60 -74.31 -4.49 36.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -95.2 -28.66 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -104.2 28.2 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.637 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.6 pp -148.75 137.24 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 53.1 m -108.98 103.66 12.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.993 HD13 HG21 ' A' ' 806' ' ' THR . 75.4 mt -54.12 151.74 12.31 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.73 23.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.336 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -55.49 110.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 156.28 -63.82 0.32 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.993 HG21 HD13 ' A' ' 802' ' ' LEU . 31.4 p -45.27 -56.72 4.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -76.96 96.43 4.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -125.0 116.41 22.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.1 106.88 19.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.954 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 812' ' ' GLY . 15.1 t -81.24 98.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 7.3 p -37.79 -31.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 810' ' ' VAL . . . 124.62 -61.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 47.81 42.1 15.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.524 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 741' ' ' SER . 1.8 t -155.03 160.66 41.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 740' ' ' SER . 34.7 m -36.9 116.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 743' ' ' SER . . . 177.75 -147.02 7.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 742' ' ' GLY . 43.4 p -35.38 -60.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 10.9 t -75.42 136.26 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 89.7 -79.81 1.52 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -86.56 123.41 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 154.77 -119.01 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . 0.503 HG11 ' HB3' ' A' ' 774' ' ' ARG . 59.7 t -126.26 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 91.6 t -99.87 105.16 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.1 123.41 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -118.98 156.9 28.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.24 142.08 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -81.77 108.2 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.4 p -70.18 -23.01 62.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -147.99 150.53 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.64 133.96 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -126.17 158.08 36.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 96.1 m -136.14 105.24 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -53.11 128.89 38.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -74.71 -39.05 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 29.4 p -125.17 163.86 21.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -53.81 -47.96 70.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -74.79 153.26 38.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 39.0 mt -103.27 174.93 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 75.5 m -134.47 116.64 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -141.84 158.8 43.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 27.1 mtm-85 -108.29 150.41 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -39.43 134.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 95.45 -28.5 11.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.55 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.64 115.27 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . 0.538 ' O ' HD23 ' A' ' 773' ' ' LEU . 61.2 t -74.15 156.9 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.5 OUTLIER -146.95 130.59 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . 0.503 ' HB3' HG11 ' A' ' 748' ' ' VAL . 60.8 mtt180 -77.14 119.41 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.496 ' CD1' HD21 ' A' ' 802' ' ' LEU . 46.2 mt -90.93 96.1 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 776' ' ' HIS . 7.4 m170 -58.69 -60.52 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -160.34 147.54 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 784' ' ' TRP . 1.1 tpp85 -50.53 135.83 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.832 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -102.89 -42.28 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -144.56 173.89 11.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 77.9 p -50.0 -34.69 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -133.06 40.35 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -149.07 163.6 37.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.708 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 62.0 m95 -139.75 175.03 9.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.832 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 40.0 mtp180 -124.18 112.77 17.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.35 -178.05 15.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -132.77 120.9 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -79.76 -177.16 5.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.828 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.93 76.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 105.57 -10.23 45.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 37.0 mtm -116.39 162.26 17.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -144.7 132.95 21.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.46 -164.11 32.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.44 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.23 171.61 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.6 mt -141.63 131.32 12.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.66 0.743 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.85 8.53 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.67 2.247 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 46.6 t60 -76.48 -3.2 36.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -96.28 -26.45 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -101.96 31.68 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 9.9 pt -149.74 165.32 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 801' ' ' THR . 16.6 m -130.35 94.59 3.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.708 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 51.5 mt -55.35 154.25 12.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.31 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.739 2.293 . . . . 0.0 112.376 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -162.84 161.29 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.51 39.84 20.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.564 HG22 ' HB2' ' A' ' 802' ' ' LEU . 19.0 p -91.57 -42.61 10.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 111.139 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 56.45 27.17 11.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -51.39 167.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -53.95 144.95 17.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.59 105.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 88.9 t -89.27 129.42 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -60.7 158.36 28.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -110.88 143.68 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 15.1 m -94.62 -46.97 6.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 75.2 m -120.34 129.61 54.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -124.21 -92.49 0.99 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 51.1 m -163.51 157.7 19.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 17.2 p -110.82 147.21 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -158.03 39.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.19 157.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 114.0 -75.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 85.5 t -104.49 143.44 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 750' ' ' GLU . 65.1 t -109.28 153.49 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . 0.411 ' N ' HG12 ' A' ' 749' ' ' VAL . 12.2 mt-10 -117.62 125.63 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.22 159.29 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.5 t -109.85 149.76 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.72 109.9 18.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.03 -33.49 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -136.51 155.82 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -71.42 131.83 43.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -128.29 158.41 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 91.6 m -140.52 107.94 5.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -54.83 135.73 46.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -78.83 -41.75 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 71.4 p -123.2 173.17 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -52.3 -40.88 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -53.19 -45.47 68.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -79.93 156.13 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.461 HD21 ' C ' ' A' ' 792' ' ' ARG . 73.5 mt -108.62 175.31 5.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 17.3 m -137.29 122.35 19.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 13.2 p90 -145.8 162.09 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 769' ' ' ARG . 44.8 ttt85 -108.72 157.7 18.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 768' ' ' ARG . 2.6 tmm_? -49.16 124.25 8.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.68 -32.11 7.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.443 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -63.88 112.7 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.58 144.08 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.9 133.33 37.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -82.71 120.83 26.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 21.5 mt -90.48 94.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.52 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 14.9 m170 -53.48 -61.57 2.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 16.2 tt0 -161.78 152.71 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 7.2 tpp85 -52.24 131.99 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.895 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -101.7 -44.47 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.88 179.18 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 23.6 p -50.87 -43.63 59.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.24 41.65 3.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -148.4 163.86 35.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -137.67 -178.38 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.895 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 72.4 mtt180 -131.57 113.46 13.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.52 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -140.74 -177.91 16.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -131.42 113.68 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.921 0.391 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 4.6 t-160 -79.86 -177.32 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -57.88 98.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 8.95 62.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 7.4 mtt -126.95 155.04 43.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . 0.461 ' C ' HD21 ' A' ' 765' ' ' LEU . 62.0 mtt180 -139.84 133.42 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.38 -168.36 40.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.411 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 8.5 mt -79.61 172.13 14.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.0 mt -138.56 131.17 16.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.707 . . . . 0.0 111.165 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.89 13.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -80.83 -15.43 56.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -91.85 -1.38 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.99 31.39 5.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 7.9 pt -149.2 175.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.159 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 96.4 m -138.56 115.83 11.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.73 154.71 85.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.8 Cg_endo -69.78 146.31 59.68 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -35.72 -37.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . -77.76 71.9 2.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 97.2 m -136.68 127.22 26.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.734 0.302 . . . . 0.0 111.133 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -103.68 109.1 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 116.86 20.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -60.31 -60.78 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 34.7 m -121.33 145.38 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.34 138.27 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -119.76 -55.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -57.16 -61.3 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 77.6 p -158.14 166.06 33.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.837 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 34.1 t -93.71 -48.93 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -104.13 128.68 9.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 27.6 p -89.2 42.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 89.4 p -123.98 92.56 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 44.12 -169.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -112.8 160.58 17.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -148.66 112.74 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 97.5 t -148.47 134.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 89.9 t -106.94 110.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -86.82 121.6 29.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.03 155.9 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 97.8 t -107.23 139.31 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.61 98.53 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.0 t -62.23 -36.89 83.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.22 150.46 51.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.57 127.59 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -126.02 149.88 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 759' ' ' GLY . 86.9 m -126.69 91.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.44 138.54 0.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 1.6 mpt_? -82.2 -32.75 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 73.8 p -144.14 178.14 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -48.06 -54.15 14.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -42.08 -41.84 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.72 148.64 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 41.0 mt -102.75 169.69 8.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 89.9 p -129.51 124.02 32.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -147.44 157.17 43.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -104.53 143.77 32.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -37.37 128.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 104.72 -35.57 4.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.07 111.68 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.72 144.65 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.42 137.21 45.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -81.55 125.92 31.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 48.3 mt -95.99 94.26 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.507 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 9.1 m170 -53.01 -60.45 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -162.04 147.81 13.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -45.59 134.91 6.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.848 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -104.22 -42.74 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.72 -175.07 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 22.7 t -54.57 -51.33 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.28 40.14 3.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -148.94 160.35 43.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -138.43 -178.57 5.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.848 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 28.9 mtt180 -129.82 115.3 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.507 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -143.61 -177.62 18.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -133.72 121.85 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.483 ' CD2' ' H ' ' A' ' 789' ' ' ASN . 4.6 t-160 -79.77 -177.1 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . 0.483 ' H ' ' CD2' ' A' ' 788' ' ' HIS . 65.4 t30 -67.13 73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.84 -11.02 34.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.467 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 30.6 mtm -115.45 161.39 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -143.18 136.73 28.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.48 -163.76 34.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.443 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 9.7 mt -82.96 176.93 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 48.9 mt -144.74 131.01 9.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 117.87 5.34 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.55 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.0 t60 -68.71 -21.52 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -78.36 -38.61 41.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . 0.419 ' O ' ' CG2' ' A' ' 800' ' ' ILE . 13.7 m-85 -90.72 42.72 1.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 799' ' ' TYR . 21.1 pt -157.76 165.92 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 80.0 m -134.51 102.88 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.528 ' HB2' HG21 ' A' ' 806' ' ' THR . 68.1 mt -67.27 151.8 96.78 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 804' ' ' ALA . 54.0 Cg_endo -69.72 155.5 65.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.23 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -34.82 137.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 122.2 -45.11 1.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.528 HG21 ' HB2' ' A' ' 802' ' ' LEU . 12.0 t -53.86 144.92 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.745 0.307 . . . . 0.0 111.137 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -123.34 41.32 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.497 ' HG2' ' CE1' ' A' ' 797' ' ' HIS . 17.2 tptt -101.59 -55.37 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.27 84.42 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.04 -59.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.48 146.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 157.16 137.45 2.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -99.1 158.85 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 8.5 t -124.33 134.73 53.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.9 t -92.53 -50.84 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 144.6 -169.04 26.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 28.6 p -98.25 42.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.2 t -134.04 144.02 48.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 148.51 -52.21 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -41.73 162.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 126.08 148.7 7.2 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 774' ' ' ARG . 91.6 t -102.51 137.1 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 111.118 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.7 t -118.27 143.0 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -99.97 119.06 37.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -121.27 147.92 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.1 t -103.43 136.05 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -77.11 112.04 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.3 m -60.53 -39.01 86.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.8 162.84 34.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.75 126.43 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -117.28 153.23 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 759' ' ' GLY . 85.2 m -126.92 89.79 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -35.57 129.8 0.76 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -71.66 -41.72 68.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 43.6 p -134.07 172.15 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.83 -44.46 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -50.88 -43.63 59.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.93 147.08 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.455 HD11 ' H ' ' A' ' 793' ' ' GLY . 57.5 mt -102.54 172.53 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 69.7 p -133.6 154.01 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -171.72 169.78 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 mtm-85 -113.77 149.77 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -42.0 128.25 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.05 -35.96 4.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -58.17 112.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 42.5 t -70.08 144.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.14 133.39 42.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . 0.462 ' HB3' HG13 ' A' ' 748' ' ' VAL . 87.2 mtt180 -83.04 125.0 30.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.444 HD13 ' CE3' ' A' ' 784' ' ' TRP . 56.9 mt -94.63 86.88 4.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -50.76 -48.25 59.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -153.8 177.79 10.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.474 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 5.3 tpt180 -96.39 86.89 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.89 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -46.92 -54.18 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.2 t -148.2 -177.09 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.2 t -72.5 -20.3 61.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.798 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.8 -19.9 9.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -115.52 157.56 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.546 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 48.0 m95 -132.12 166.76 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.89 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 48.1 mtp180 -109.12 122.15 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.68 172.37 28.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -137.62 111.66 8.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -85.12 -176.88 6.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -52.92 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.28 79.36 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 14.2 mtp -127.05 147.22 50.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -143.24 121.27 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.455 ' H ' HD11 ' A' ' 765' ' ' LEU . . . -175.71 -155.03 12.09 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 13.9 mt -87.5 177.96 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mt -150.09 132.5 8.05 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.685 0.755 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.421 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.4 Cg_endo -69.81 124.46 11.09 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.432 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 29.7 t60 -77.05 -14.44 59.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -85.75 -32.09 22.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -95.2 18.58 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 800' ' ' ILE . 2.7 pp -144.35 153.58 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.145 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.2 m -123.31 121.92 37.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.623 ' HB2' HG22 ' A' ' 806' ' ' THR . 90.5 mt -80.11 152.75 74.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.6 Cg_endo -69.81 176.51 6.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -35.9 119.77 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 114.22 49.56 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 802' ' ' LEU . 68.7 p -96.73 40.62 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.43 175.94 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -110.18 154.52 23.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 67.94 42.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.75 142.31 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 93.2 t -48.53 -48.62 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 167.52 -164.18 37.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -49.56 -60.81 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.463 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 741' ' ' SER . 82.8 p -120.98 -44.14 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 740' ' ' SER . 54.0 p -37.63 -44.43 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -79.04 -136.97 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 57.5 m -94.72 104.5 16.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 4.7 t -116.55 100.1 7.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 150.0 64.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -88.47 37.57 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -161.04 -65.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 92.5 t -131.85 144.23 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.45 108.06 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.67 136.71 35.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -127.55 154.97 44.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 86.6 t -101.64 131.67 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -66.42 104.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 799' ' ' TYR . 2.0 t -59.98 -48.47 81.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -133.94 149.58 51.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.1 134.66 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.02 156.22 44.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -133.36 95.01 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.53 127.63 2.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -73.3 -42.31 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.3 p -127.38 170.33 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.46 -36.69 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -55.42 -45.69 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.617 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.2 OUTLIER -81.48 162.91 23.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 39.9 mt -115.04 176.49 5.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . 0.512 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 5.1 t -136.22 147.17 47.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -169.57 159.4 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 769' ' ' ARG . 31.2 mtp180 -104.5 141.5 36.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 768' ' ' ARG . 73.4 ttt180 -35.16 124.85 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 109.1 -37.52 3.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.49 113.9 2.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 57.2 t -74.56 140.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.39 131.03 48.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -77.34 125.25 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.665 HD13 ' CE3' ' A' ' 784' ' ' TRP . 64.0 mt -89.33 94.99 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 785' ' ' ARG . 13.9 m170 -57.69 -56.72 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -155.01 159.64 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ2' ' A' ' 784' ' ' TRP . 6.9 tpp180 -73.39 80.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.926 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -43.45 -61.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 7.8 t -136.77 -175.01 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 21.0 t -78.34 -16.48 57.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -123.01 -17.83 6.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -116.28 161.38 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.665 ' CE3' HD13 ' A' ' 775' ' ' LEU . 46.4 m95 -130.6 171.41 13.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.926 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 17.1 mtt-85 -119.43 114.67 22.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.17 -179.77 18.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -134.64 112.38 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.5 t-160 -79.82 -176.89 5.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -55.3 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.86 12.37 67.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.4 mmm -127.2 153.21 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -138.33 132.7 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.96 -158.67 23.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.617 HD12 ' OE1' ' A' ' 764' ' ' GLU . 19.8 mt -86.44 177.53 7.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 53.9 mt -148.61 132.49 8.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.401 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.82 125.17 11.8 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.63 2.22 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 38.3 t60 -78.51 -3.39 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -95.65 -30.67 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 754' ' ' CYS . 2.6 m-85 -97.51 10.82 38.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.707 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -133.02 132.96 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 69.8 m -103.1 115.85 31.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' A' ' 806' ' ' THR . 24.8 mt -70.04 156.28 92.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.43 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -162.59 172.63 15.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 58.88 34.24 77.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.509 ' HB ' HD12 ' A' ' 802' ' ' LEU . 5.0 t -122.28 -17.58 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.199 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -116.14 144.38 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -117.37 93.07 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . 0.505 ' NE2' ' H ' ' A' ' 811' ' ' VAL . 0.0 OUTLIER -93.79 141.69 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . 0.464 ' N ' ' OE1' ' A' ' 809' ' ' GLN . 93.8 t -35.86 -55.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . 0.505 ' H ' ' NE2' ' A' ' 809' ' ' GLN . 12.7 p -120.71 142.35 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 163.15 -160.63 33.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -84.47 178.2 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 47.0 t -97.56 118.55 34.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 27.8 p -101.43 124.57 47.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -176.08 98.08 0.12 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 72.8 m -101.96 81.39 2.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 2.5 t 42.78 42.24 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . 0.446 ' O ' ' CD ' ' A' ' 746' ' ' GLU . . . -173.7 41.21 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 745' ' ' GLY . 14.9 mp0 -146.32 132.05 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -152.17 161.75 29.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 93.3 t -136.23 144.17 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 97.5 t -134.41 130.8 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -93.93 138.94 31.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -132.36 157.68 43.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.73 140.26 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.69 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 9.1 t -73.89 -44.9 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -130.19 145.23 51.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -62.16 118.55 7.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -113.93 151.94 31.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.9 m -131.42 98.85 4.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.24 131.93 10.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -69.88 -40.1 75.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 68.0 p -139.14 -179.09 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -49.02 -46.66 44.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -48.85 -37.18 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -98.34 144.72 27.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 26.9 mt -94.53 -179.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 6.0 m -141.6 126.3 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -150.92 158.68 44.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -103.93 147.17 27.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -39.71 127.66 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.81 -32.85 7.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.38 114.83 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 51.0 t -75.49 148.39 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.4 135.36 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -81.49 129.07 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.423 HD13 ' CE3' ' A' ' 784' ' ' TRP . 21.7 mt -93.42 96.96 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.8 m170 -56.5 -54.3 47.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -165.91 157.58 14.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -61.81 128.03 34.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.849 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -96.64 -42.62 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -148.39 -177.01 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 30.0 t -66.05 -28.89 69.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.93 35.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -148.85 174.74 11.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 70.5 m95 -150.24 174.6 12.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.849 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 58.4 mtt180 -124.9 113.24 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -142.0 176.61 21.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.496 ' CE1' ' O ' ' A' ' 766' ' ' SER . 3.4 t-160 -79.73 -177.09 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -66.93 73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 108.3 -11.19 36.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 13.3 mmm -115.16 161.53 18.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -143.28 135.87 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 175.51 -163.57 33.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.447 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 10.4 mt -81.29 -179.86 7.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.321 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 52.4 mt -150.55 130.23 6.62 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.96 10.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 17.1 t60 -74.81 -10.09 59.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . 0.532 ' HD2' ' CE1' ' A' ' 799' ' ' TYR . 2.7 tmtm? -86.6 -38.13 17.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' A' ' 798' ' ' LYS . 3.1 m-85 -90.31 37.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 17.4 pt -152.18 164.48 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 28.1 m -133.75 93.63 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.525 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 58.8 mt -57.29 155.42 18.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -63.82 95.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 175.35 -26.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.67 HG23 ' HB2' ' A' ' 808' ' ' LYS . 10.0 t -78.25 45.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.705 0.288 . . . . 0.0 111.114 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 806' ' ' THR . 16.0 tt0 35.69 42.85 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.67 ' HB2' HG23 ' A' ' 806' ' ' THR . 21.5 ttpp -120.29 161.35 21.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -94.49 96.94 9.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 30.9 m -48.89 153.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 811' ' ' VAL . 3.3 p -73.07 -9.16 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 159.77 -131.26 2.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -86.86 135.9 33.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.424 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 36.9 m -136.11 118.0 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 89.2 p -81.98 105.36 13.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -129.26 119.66 3.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 46.0 m -94.46 103.71 15.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 6.0 t -148.4 149.26 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -99.46 79.43 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -140.38 164.55 29.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 69.86 -94.19 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 89.7 t -104.57 135.29 43.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.05 122.32 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.4 124.02 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.75 160.18 20.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.7 t -112.31 144.0 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -80.3 95.19 6.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.8 t -51.37 -42.44 61.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -137.11 155.52 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.58 136.3 52.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -132.2 153.38 50.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 759' ' ' GLY . 99.9 m -130.17 90.85 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.01 133.17 0.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -78.56 -39.1 38.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 75.0 p -130.46 169.36 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.92 -46.96 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.43 -49.33 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -76.98 155.27 32.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 56.4 mt -107.51 173.22 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 28.5 p -132.62 135.46 45.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -158.22 160.22 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 769' ' ' ARG . 45.9 mtp180 -104.9 141.29 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 768' ' ' ARG . 25.3 ttt180 -34.32 126.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 103.24 -37.05 3.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.524 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.85 113.2 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 52.5 t -70.95 149.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.62 130.08 27.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -79.63 121.95 25.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.569 HD13 ' CE3' ' A' ' 784' ' ' TRP . 60.8 mt -85.19 89.92 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 785' ' ' ARG . 12.7 m170 -57.3 -40.35 77.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -157.38 167.48 30.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 4.8 tpt180 -104.35 86.11 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.676 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -46.34 -56.58 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 72.4 p -147.74 178.64 8.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 40.5 t -72.77 -12.78 61.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -112.59 -27.62 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -119.36 159.25 24.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 778' ' ' ARG . 61.5 m95 -130.64 177.67 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.676 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 64.4 mtt180 -128.19 116.07 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -143.76 177.52 22.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . 0.422 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.2 tt0 -131.36 112.54 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -79.76 -176.75 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.48 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 14.58 69.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.1 mtt -127.27 152.74 47.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -138.29 130.07 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -177.4 -164.85 31.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.57 -178.86 6.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 32.3 mt -152.93 132.67 7.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.564 ' O ' HG23 ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.81 125.93 12.69 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.285 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 784' ' ' TRP . 14.1 t60 -77.29 -19.83 55.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -86.64 -33.27 20.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -92.08 32.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 796' ' ' PRO . 19.4 pt -146.18 161.42 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 40.4 m -125.82 101.03 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.989 ' HB3' HG21 ' A' ' 806' ' ' THR . 94.5 mt -67.69 151.78 96.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 163.64 37.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.616 2.211 . . . . 0.0 112.376 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -37.43 143.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 95.89 -111.9 4.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.989 HG21 ' HB3' ' A' ' 802' ' ' LEU . 58.5 p 42.19 40.77 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.138 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.23 -45.08 3.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.0 135.33 7.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . 0.448 ' CD ' ' O ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -133.45 42.08 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 812' ' ' GLY . 90.3 t -92.61 116.04 32.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 811' ' ' VAL . 12.6 p -88.71 39.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . 0.519 ' H ' HG12 ' A' ' 810' ' ' VAL . . . -152.14 133.92 4.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -43.67 -55.67 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 53.4 p -153.07 160.38 42.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 15.0 t -148.51 127.99 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -92.04 -110.29 1.76 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.442 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 89.0 p -155.44 145.43 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 22.1 m -98.96 42.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -81.88 147.93 26.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -166.69 149.51 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 124.76 135.83 4.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 89.3 t -128.44 142.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 88.9 t -115.08 118.88 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 129.53 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -124.25 156.12 37.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.38 141.04 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.085 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -85.24 105.06 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 5.8 p -64.04 -35.99 82.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -129.27 168.75 15.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.7 121.9 34.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -112.92 150.26 32.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 759' ' ' GLY . 88.6 m -126.11 87.68 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.36 139.33 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -87.68 -28.95 21.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 24.4 p -139.91 178.43 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.52 -58.19 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 764' ' ' GLU . 20.9 pt20 -40.92 -45.92 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 763' ' ' GLN . 73.9 mt-10 -78.23 147.39 34.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.457 HD21 ' C ' ' A' ' 792' ' ' ARG . 68.7 mt -103.61 170.71 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 54.7 p -131.92 120.18 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . 0.443 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 3.1 p90 -146.19 156.6 43.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -103.15 154.66 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 769' ' ' ARG . 17.8 ttp-105 -44.56 129.48 6.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.66 -33.13 6.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.23 111.78 1.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . 0.488 ' O ' HD23 ' A' ' 773' ' ' LEU . 94.9 t -69.43 150.78 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.7 OUTLIER -141.75 131.23 23.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -80.8 114.79 19.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 53.1 mt -84.36 99.29 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.412 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 13.8 m170 -59.7 -61.49 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -161.13 150.9 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -50.13 129.67 21.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.871 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -96.75 -45.14 6.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 m -146.99 -175.02 4.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 92.6 p -55.73 -40.68 72.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.13 42.98 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -148.95 166.54 28.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -141.42 170.2 16.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.871 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 80.8 mtt180 -120.55 110.52 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.412 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -137.1 -176.93 14.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.476 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -134.85 113.79 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 3.0 t-160 -79.87 -177.17 5.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -57.57 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.92 9.63 63.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 28.7 mtm -127.12 153.59 45.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . 0.457 ' C ' HD21 ' A' ' 765' ' ' LEU . 71.7 mtm-85 -138.02 136.28 36.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 174.13 -167.46 39.91 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.458 ' CD2' ' HB1' ' A' ' 779' ' ' ALA . 7.8 mt -80.89 178.13 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mt -144.7 130.12 9.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 118.55 5.75 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 32.4 t60 -74.8 0.64 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -100.43 -25.66 14.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -102.05 28.3 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 14.7 pt -142.13 167.36 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.158 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.0 m -134.87 96.08 3.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.61 157.38 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.92 11.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.704 2.27 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 806' ' ' THR . . . -58.43 -49.9 75.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 804' ' ' ALA . . . -35.15 -32.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 804' ' ' ALA . 93.2 m -62.37 96.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -77.92 129.41 35.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -101.11 40.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 810' ' ' VAL . 6.3 pt20 -61.1 -37.37 82.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . 0.403 ' N ' ' HG3' ' A' ' 809' ' ' GLN . 95.7 t -136.94 107.14 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 4.2 p -141.43 125.51 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -80.65 173.68 54.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -138.8 153.93 48.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 27.6 m -81.34 103.78 11.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 20.4 t -77.53 143.09 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -178.15 -108.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 81.6 p -44.49 -24.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 11.6 t -83.27 86.22 7.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -121.91 93.53 0.51 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -121.27 -41.59 2.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -42.11 115.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.02 135.48 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.098 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 99.7 t -114.12 116.44 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -79.52 129.0 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -121.66 159.71 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.96 145.03 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -89.63 100.68 13.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 15.4 p -60.64 -27.21 67.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -142.04 174.68 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.83 127.8 38.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . 0.409 ' CG ' ' HG3' ' A' ' 796' ' ' PRO . 56.3 t80 -117.58 157.61 26.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.9 m -134.09 96.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -46.15 131.01 10.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.527 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -76.76 -42.45 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 45.0 p -128.39 165.63 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.97 -46.16 8.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -48.66 -48.27 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -79.76 149.81 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 65.8 mt -103.99 178.06 4.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 29.4 p -142.86 138.48 30.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -156.83 158.96 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -98.16 161.53 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 769' ' ' ARG . 19.1 ttp-105 -53.96 124.89 16.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 102.5 -33.45 6.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.63 112.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.87 144.11 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.52 132.31 40.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -79.95 113.27 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 751' ' ' ALA . 26.9 mt -86.49 92.08 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 785' ' ' ARG . 10.9 m170 -52.21 -63.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -156.42 158.87 38.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -63.19 107.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.939 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -70.35 -53.3 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.2 t -166.26 -175.04 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 3.8 m -61.78 123.46 18.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.0 26.48 14.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -150.12 147.27 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.597 ' HE1' ' HD1' ' A' ' 797' ' ' HIS . 55.5 m95 -132.57 177.03 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.939 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 20.9 mtp180 -123.76 113.94 19.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -141.04 -176.04 15.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -137.58 111.09 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 791' ' ' MET . 2.9 t-160 -80.43 -176.59 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.38 93.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.56 71.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.402 ' HB2' ' HB3' ' A' ' 788' ' ' HIS . 5.6 mtp -127.38 147.53 50.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -136.45 134.21 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.13 -164.31 37.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.01 173.24 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.481 HG23 ' HD2' ' A' ' 796' ' ' PRO . 96.0 mt -145.44 133.81 10.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.481 ' HD2' HG23 ' A' ' 795' ' ' ILE . 53.7 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.648 ' HA ' HD11 ' A' ' 800' ' ' ILE . 84.4 t60 -69.04 -20.86 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -76.32 -36.7 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . 0.531 ' O ' HG23 ' A' ' 800' ' ' ILE . 15.5 m-85 -93.49 36.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -159.03 157.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -134.61 102.92 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.571 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.3 mp -51.27 157.9 1.48 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.64 0.733 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -57.82 92.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 138.86 79.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 71.1 p -110.09 -49.98 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.161 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -140.22 157.6 45.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -76.98 54.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -124.97 77.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 33.9 m -137.71 168.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 93.2 t -103.19 111.88 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -67.89 -179.3 15.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -147.84 127.89 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.09 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 14.7 t -103.62 86.33 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 3.5 m -162.75 124.65 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -99.01 134.13 11.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 62.6 m -77.3 171.12 15.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 39.8 t -91.51 132.18 36.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 144.57 153.55 5.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.27 -52.57 63.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 139.11 -115.47 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 774' ' ' ARG . 65.3 t -133.87 138.63 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 77.6 t -111.33 147.37 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -118.49 128.84 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.752 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -114.81 141.67 47.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.9 132.24 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.12 105.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 3.7 t -63.97 -41.13 97.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -140.5 170.95 14.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.68 125.06 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -125.2 159.96 30.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.1 m -135.44 104.96 6.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -40.37 126.47 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -69.83 -35.43 74.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 53.9 p -140.94 171.62 13.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -51.57 -32.93 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . 0.626 ' HG2' HD12 ' A' ' 794' ' ' LEU . 6.0 tt0 -64.66 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.86 154.84 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 57.3 mt -105.57 164.88 11.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 12.1 t -129.21 149.88 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . 0.49 ' CE2' ' CD1' ' A' ' 773' ' ' LEU . 13.3 p90 -168.78 169.14 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 33.8 mtt180 -115.79 139.58 50.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 47.6 ttp180 -34.42 126.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 107.32 -36.76 4.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -68.05 113.89 6.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . 0.5 ' O ' HD23 ' A' ' 773' ' ' LEU . 95.0 t -69.83 156.81 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.5 OUTLIER -145.52 126.8 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . 0.475 ' HG2' ' CG1' ' A' ' 748' ' ' VAL . 7.7 ttm180 -58.86 151.06 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 751' ' ' ALA . 44.6 mt -122.06 85.6 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.475 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.7 m170 -52.7 -66.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 778' ' ' ARG . 24.1 tt0 -158.47 148.57 19.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 777' ' ' GLU . 6.1 tpt180 -53.35 104.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.873 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -67.42 -53.43 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -137.89 -175.31 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 17.4 t -61.52 -39.04 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.29 37.76 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -150.07 160.15 43.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.443 ' CD1' ' HB2' ' A' ' 797' ' ' HIS . 65.6 m95 -135.7 164.01 28.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.873 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 11.4 mtt180 -115.22 115.75 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.475 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -143.45 -176.07 17.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -136.83 113.1 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.392 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 791' ' ' MET . 3.7 t-160 -82.72 -176.69 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -52.09 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.57 16.05 71.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 788' ' ' HIS . 4.9 mmm -127.32 150.74 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -139.51 132.51 29.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 173.76 -161.73 32.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.626 HD12 ' HG2' ' A' ' 763' ' ' GLN . 16.4 mt -83.88 174.31 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 796' ' ' PRO . 94.3 mt -147.52 134.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 111.148 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 795' ' ' ILE . 54.0 Cg_endo -69.74 123.69 10.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.445 ' HA ' ' CG1' ' A' ' 800' ' ' ILE . 38.9 t60 -75.23 -13.77 60.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -83.89 -37.04 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -93.15 28.4 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -151.04 135.6 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 88.0 m -108.41 109.35 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.425 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 86.3 mt -63.59 151.01 89.21 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 0.0 110.975 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 170.97 15.3 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -59.91 142.69 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.23 55.46 2.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 41.7 p -97.85 -39.68 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.724 0.297 . . . . 0.0 111.1 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 808' ' ' LYS . 14.8 tp10 -80.29 155.27 27.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 807' ' ' GLU . 83.4 mttt -34.7 -55.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -152.64 117.89 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.92 172.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 811' ' ' VAL . 7.6 p -117.06 120.29 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 86.86 153.12 23.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -138.6 156.01 47.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 2.8 t -159.85 160.16 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.832 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 1.6 t -148.76 151.37 34.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -123.2 79.3 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 35.6 m -38.93 132.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -133.64 137.67 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -111.67 -175.4 19.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -128.01 113.17 15.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.61 17.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 95.2 t -96.0 133.03 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 111.132 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 67.9 t -98.12 139.61 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -100.71 122.51 43.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' ' 775' ' ' LEU . . . -115.33 145.38 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.63 133.07 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -65.62 108.75 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 2.4 t -64.62 -42.11 95.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -140.81 143.88 35.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.06 120.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -117.65 149.89 39.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 89.6 m -125.73 90.8 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.65 130.42 0.56 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -72.76 -43.83 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 66.7 p -128.01 169.59 13.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.36 19.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -50.08 -46.26 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.582 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -82.86 148.13 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 58.0 mt -98.06 173.19 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 55.9 m -136.2 122.74 20.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . 0.441 ' CD2' HD11 ' A' ' 773' ' ' LEU . 11.0 p90 -141.46 154.16 45.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -91.04 150.06 21.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -42.66 123.73 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 99.95 -33.91 5.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -52.22 113.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . 0.494 ' O ' HD23 ' A' ' 773' ' ' LEU . 78.0 t -69.41 155.06 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 772' ' ' VAL . 2.7 mt -144.05 135.49 25.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -79.32 121.76 25.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' ' 751' ' ' ALA . 47.6 mt -91.81 98.65 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.484 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.9 m170 -63.91 -51.01 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -47.8 136.48 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.535 ' HB1' HD22 ' A' ' 794' ' ' LEU . . . -102.69 -40.73 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 6.1 t -159.69 -175.17 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.877 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 80.3 p -53.87 -36.52 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.96 41.79 2.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -150.39 158.25 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -135.42 167.27 21.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.5 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 60.2 mtt85 -115.89 108.54 16.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.484 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -138.9 -172.87 12.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -137.58 121.37 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -79.44 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.95 72.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 111.23 -16.09 27.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.413 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 4.5 mtt -109.58 159.76 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -144.06 129.2 18.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 178.59 -155.74 17.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.582 HD12 ' OE1' ' A' ' 764' ' ' GLU . 5.2 mt -85.94 175.12 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.738 0.304 . . . . 0.0 110.93 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 796' ' ' PRO . 89.0 mt -145.24 134.0 11.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.596 0.712 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 795' ' ' ILE . 53.9 Cg_endo -69.77 121.89 8.58 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 8.2 t60 -72.16 -22.28 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.98 -38.07 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -91.07 27.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.714 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.7 pp -151.71 135.06 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 89.5 m -105.25 110.34 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 751' ' ' ALA . 24.6 mt -73.37 152.68 90.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.9 Cg_endo -69.73 175.07 8.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -36.88 131.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 127.01 -38.79 2.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 7.0 t -70.35 163.93 25.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -79.98 134.41 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -84.03 42.92 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -41.55 -49.85 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.73 152.07 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 99.0 t -74.31 -61.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 115.66 -151.33 18.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 49.01 41.66 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 9.6 t -92.86 92.64 8.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.841 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 m -68.65 89.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -92.68 83.9 1.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 4.8 t 60.37 41.84 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 14.1 m -59.9 139.91 57.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 122.54 -92.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -105.04 82.88 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -138.66 -170.4 11.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . 0.425 HG11 ' HD2' ' A' ' 774' ' ' ARG . 62.0 t -112.44 143.2 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.36 132.89 69.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -95.21 116.56 28.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.531 ' HB2' HD23 ' A' ' 802' ' ' LEU . . . -112.62 152.8 28.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 67.3 t -105.93 150.32 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -93.1 98.27 11.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 29.3 p -61.25 -38.61 87.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -125.09 157.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -81.19 127.35 32.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -119.26 150.14 40.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.6 m -131.69 88.61 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -41.59 149.75 0.28 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -97.14 -35.49 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 12.2 p -119.69 178.72 4.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -59.35 -45.63 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -53.02 -43.46 66.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.63 132.57 37.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 791' ' ' MET . 55.1 mt -91.06 176.77 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . 0.423 ' O ' ' CE1' ' A' ' 788' ' ' HIS . 50.8 p -139.55 127.87 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . 0.529 ' HB3' ' CE1' ' A' ' 788' ' ' HIS . 9.7 p90 -150.05 156.61 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -99.97 156.32 17.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -46.75 126.61 8.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.56 -24.8 30.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.21 111.94 2.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 41.5 t -72.69 141.61 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.56 128.81 41.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . 0.425 ' HD2' HG11 ' A' ' 748' ' ' VAL . 14.5 mmt180 -78.04 125.1 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.51 HD11 ' CD2' ' A' ' 802' ' ' LEU . 41.7 mt -91.73 88.7 6.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -58.9 -48.27 82.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.73 174.53 12.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.487 ' HD3' ' CZ2' ' A' ' 784' ' ' TRP . 8.0 tpt180 -106.96 92.87 4.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.433 ' HB2' ' CG ' ' A' ' 785' ' ' ARG . . . -53.23 -54.78 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.4 t -144.68 -178.91 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 38.9 m -74.24 -11.97 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -118.23 -27.05 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -112.68 158.87 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.599 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 50.8 m95 -133.94 165.46 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.433 ' CG ' ' HB2' ' A' ' 779' ' ' ALA . 17.0 mtm180 -111.57 109.28 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -139.54 178.6 19.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.3 137.2 52.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 767' ' ' PHE . 1.8 t-160 -107.27 -177.03 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.48 95.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.98 11.44 66.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.443 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 22.2 mtp -127.16 158.92 35.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 792' ' ' ARG . 14.3 mtp-105 -147.14 128.99 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -179.19 -159.62 23.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 42.0 mt -78.76 -179.5 6.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -152.22 132.48 7.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.497 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.6 Cg_endo -69.79 125.84 12.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 11.4 t60 -79.35 -16.16 56.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -87.79 -28.28 21.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -97.02 14.07 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 796' ' ' PRO . 2.6 pp -140.71 153.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 98.1 m -121.11 116.34 24.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 1.036 HD13 HG21 ' A' ' 806' ' ' THR . 96.0 mt -72.98 152.89 90.92 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.559 0.695 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.32 16.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -72.07 79.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 149.71 62.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 1.036 HG21 HD13 ' A' ' 802' ' ' LEU . 24.1 m -116.17 40.08 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.733 0.301 . . . . 0.0 111.116 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . 0.431 ' HG2' ' C ' ' A' ' 806' ' ' THR . 15.2 pt-20 37.01 32.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 806' ' ' THR . 8.8 tppt? -159.22 137.65 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 45.04 53.85 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.35 121.46 67.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 14.0 p -82.19 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -102.23 -109.41 3.29 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 51.33 43.96 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 91.2 p -67.42 113.53 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 49.7 m -144.99 112.47 6.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -153.37 56.49 0.43 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 83.0 p -57.04 162.22 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 3.4 m -96.94 121.11 38.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 129.12 124.31 2.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -161.17 115.22 2.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.939 0.399 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 156.12 -155.9 26.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 93.2 t -134.13 138.44 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 94.1 t -105.58 125.23 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.51 121.96 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -115.67 157.9 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.28 138.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.42 104.71 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.5 -55.9 25.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.24 143.92 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -57.64 122.61 13.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -118.72 151.24 38.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 98.4 m -132.27 94.05 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.65 129.09 7.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -75.67 -40.16 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 61.7 p -125.58 168.43 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.85 -47.32 15.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -47.91 -49.52 29.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -79.67 135.12 36.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 792' ' ' ARG . 34.7 mt -89.31 176.91 6.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 5.2 t -132.77 146.81 52.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -173.17 155.8 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 769' ' ' ARG . 2.4 mpt_? -106.16 144.92 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 768' ' ' ARG . 45.7 ttp85 -36.43 125.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 105.12 -37.85 3.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.0 115.46 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.68 147.14 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.09 126.14 31.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -78.39 115.5 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.492 HD13 ' CE3' ' A' ' 784' ' ' TRP . 32.4 mt -84.15 95.18 8.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.5 m170 -53.46 -47.66 69.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -160.73 170.49 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.598 ' CD ' ' CZ2' ' A' ' 784' ' ' TRP . 6.2 tpp85 -83.98 77.31 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.903 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -43.73 -61.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 34.7 t -141.53 173.67 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 91.9 p -65.0 -25.08 67.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.54 -28.97 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -106.31 158.22 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.62 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 41.2 m95 -135.78 159.01 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.903 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 1.4 mmm180 -101.72 120.25 40.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -147.84 173.86 27.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -142.63 111.0 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -85.89 -176.77 6.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -52.9 96.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 70.47 17.51 74.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 2.1 mtt -127.1 143.01 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . 0.407 ' N ' HD21 ' A' ' 765' ' ' LEU . 53.8 mtm180 -140.52 125.12 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 177.13 -160.31 27.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.82 178.59 7.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.2 mt -150.66 132.43 7.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.36 8.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 18.4 t60 -73.16 -6.24 44.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -90.21 -37.22 14.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.75 16.76 10.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 800' ' ' ILE . 2.6 pp -139.7 139.02 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 74.5 m -111.67 109.61 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.62 HD11 ' CZ2' ' A' ' 784' ' ' TRP . 75.2 mt -65.02 154.71 86.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 163.53 37.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -38.34 157.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 63.29 44.08 97.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 802' ' ' LEU . 1.0 OUTLIER -59.76 -43.52 94.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 111.14 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 808' ' ' LYS . 10.7 pt-20 -132.15 -39.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 807' ' ' GLU . 11.9 ttpp -73.13 143.43 47.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.5 pp0? -119.2 173.84 6.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.23 145.39 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 10.1 p -107.09 137.34 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 84.13 -101.88 2.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -143.48 140.53 30.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 69.9 p -70.16 92.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.9 m -97.15 168.97 10.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 149.4 108.44 0.47 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 50.6 m -97.4 146.33 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.822 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.7 p -134.93 133.66 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 747' ' ' GLY . . . -151.75 -89.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 746' ' ' GLU . 0.0 OUTLIER 34.24 33.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.931 0.396 . . . . 0.0 110.918 -179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 745' ' ' GLY . . . -113.44 -138.88 7.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . 0.592 HG11 ' HB3' ' A' ' 774' ' ' ARG . 79.8 t -146.03 139.84 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 111.106 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 81.8 t -101.5 120.2 50.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -83.78 126.92 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -120.77 161.95 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 137.2 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -75.23 110.55 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 30.5 t -73.9 -31.13 62.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -137.96 159.64 41.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -80.01 129.65 34.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -122.01 152.58 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 97.6 m -132.31 93.28 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -45.9 124.57 7.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -76.58 -31.53 57.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 54.5 p -138.8 167.5 21.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -45.36 -41.52 9.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -54.45 -40.67 68.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -94.34 135.17 36.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.01 -179.7 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 88.2 p -142.19 128.65 20.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -154.48 166.53 33.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -109.5 151.33 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -43.77 127.08 4.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.99 -29.77 11.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -59.45 113.7 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 29.3 t -73.61 145.14 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.54 134.06 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . 0.592 ' HB3' HG11 ' A' ' 748' ' ' VAL . 23.2 mtt180 -76.19 123.89 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.532 HD13 ' CE3' ' A' ' 784' ' ' TRP . 37.7 mt -90.81 90.51 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.557 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 10.1 m170 -53.59 -60.36 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.82 142.88 6.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -52.86 122.44 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.914 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -85.87 -47.15 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.9 m -135.52 -176.33 4.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 88.4 p -61.18 -32.22 71.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.13 40.56 3.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -148.41 169.8 19.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.76 ' HE1' ' HD1' ' A' ' 797' ' ' HIS . 57.8 m95 -144.32 172.03 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.914 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 60.5 mtt180 -125.67 110.87 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.557 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -139.13 -175.64 14.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -132.88 121.83 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -79.67 -176.99 5.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -68.1 70.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 113.62 -13.29 22.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -115.36 163.72 15.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -146.84 136.22 22.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 170.49 -165.72 38.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.543 ' CD2' ' CB ' ' A' ' 779' ' ' ALA . 9.7 mt -74.43 168.97 18.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 88.4 mt -141.6 131.67 12.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 111.11 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.26 11.94 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.76 ' HD1' ' HE1' ' A' ' 784' ' ' TRP . 75.4 t60 -74.94 -30.69 61.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.05 1.91 6.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -128.7 34.6 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 797' ' ' HIS . 6.9 pt -153.74 178.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 97.9 m -151.21 105.03 3.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.4 HD21 ' CH2' ' A' ' 784' ' ' TRP . 4.4 mp -59.99 157.84 28.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 804' ' ' ALA . 53.2 Cg_endo -69.83 164.71 33.61 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 803' ' ' PRO . . . -34.08 147.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 806' ' ' THR . . . 75.35 -109.86 2.9 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 805' ' ' GLY . 60.6 p 36.76 35.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 111.189 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -48.7 159.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 148.3 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.82 140.3 49.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 810' ' ' VAL . 32.9 m -60.49 118.01 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.0 163.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -149.67 -109.52 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -117.92 104.03 10.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 55.3 m -44.35 -59.87 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.826 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 18.0 m -155.27 161.3 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . 66.36 -165.59 39.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 25.4 m -145.8 160.78 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 0.0 110.847 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.6 m -128.94 89.23 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 88.66 -82.97 1.48 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 67.48 46.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 97.42 118.14 3.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . 0.501 HG21 HH21 ' A' ' 774' ' ' ARG . 52.2 t -125.56 148.79 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 85.5 t -110.06 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -88.7 125.42 34.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -122.78 147.22 46.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 43.3 t -106.75 130.76 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.61 106.21 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . 0.411 ' SG ' ' CE2' ' A' ' 755' ' ' PHE . 23.6 p -61.23 -34.24 74.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 799' ' ' TYR . 15.2 m-85 -136.12 167.39 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -84.04 133.31 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -128.99 154.23 46.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 759' ' ' GLY . 80.3 m -128.01 94.57 3.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -36.65 128.87 1.05 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.553 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -69.95 -45.47 67.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 70.5 p -130.94 168.51 17.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.71 -43.39 5.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -50.33 -48.42 55.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.645 ' OE1' HD12 ' A' ' 794' ' ' LEU . 0.2 OUTLIER -76.29 161.92 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.452 HD12 HG13 ' A' ' 795' ' ' ILE . 28.4 mt -109.41 162.15 14.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 35.7 p -125.6 128.56 48.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . 0.443 ' HB3' ' CD2' ' A' ' 788' ' ' HIS . 1.1 p90 -155.54 166.09 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.25 157.66 21.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 769' ' ' ARG . 3.0 tmt_? -41.29 136.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 87.64 -26.4 7.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.41 111.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . . . . . . . . . 39.0 t -74.77 141.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . 0.523 HD23 ' CE1' ' A' ' 788' ' ' HIS . 0.3 OUTLIER -136.49 136.53 39.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . 0.501 HH21 HG21 ' A' ' 748' ' ' VAL . 34.2 mtp180 -88.69 123.93 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.586 HD13 ' CE3' ' A' ' 784' ' ' TRP . 26.9 mt -85.57 101.41 12.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.552 ' CD2' ' HA2' ' A' ' 786' ' ' GLY . 18.0 m170 -64.67 -49.93 69.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -155.36 159.44 39.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.494 ' HD3' ' CZ3' ' A' ' 784' ' ' TRP . 5.4 tpp85 -76.07 80.07 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.81 ' HB2' ' HG2' ' A' ' 785' ' ' ARG . . . -43.83 -61.18 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 2.5 t -140.89 -177.08 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 81.4 p -73.2 -22.32 60.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -119.44 -13.23 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -118.27 164.89 14.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.586 ' CE3' HD13 ' A' ' 775' ' ' LEU . 71.0 m95 -138.33 164.51 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.81 ' HG2' ' HB2' ' A' ' 779' ' ' ALA . 4.7 mmm180 -117.79 114.64 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 776' ' ' HIS . . . -152.26 -177.65 26.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -132.38 122.87 25.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.523 ' CE1' HD23 ' A' ' 773' ' ' LEU . 0.4 OUTLIER -79.72 -176.76 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -66.19 72.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 788' ' ' HIS . . . 110.53 -13.82 30.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . 0.418 ' HB3' ' CD2' ' A' ' 765' ' ' LEU . 2.2 mmt -110.96 157.69 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . 0.41 ' C ' HD21 ' A' ' 765' ' ' LEU . 51.2 mtp180 -141.17 136.54 31.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 165.19 -161.97 35.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.645 HD12 ' OE1' ' A' ' 764' ' ' GLU . 8.0 mt -76.38 179.49 5.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.452 HG13 HD12 ' A' ' 765' ' ' LEU . 49.9 mt -150.52 128.94 5.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.144 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.65 5.81 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.308 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 6.4 t60 -69.76 -18.67 63.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.17 -33.69 50.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . 0.486 ' CD2' ' HB2' ' A' ' 755' ' ' PHE . 18.0 m-85 -95.77 42.62 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 799' ' ' TYR . 18.9 pt -159.79 153.21 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 51.5 m -121.98 90.99 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.639 ' HB2' HG22 ' A' ' 806' ' ' THR . 33.7 mt -43.64 154.67 0.34 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -167.92 167.39 12.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 58.97 55.43 30.97 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.639 HG22 ' HB2' ' A' ' 802' ' ' LEU . 81.2 p -84.17 -53.14 5.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -149.09 159.46 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -90.7 85.65 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -119.05 156.9 28.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.99 100.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.55 -32.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 94.07 -130.55 10.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -42.93 -53.32 4.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 54.7 p -78.08 142.18 38.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 33.6 p -110.13 105.11 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -157.08 -174.79 27.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 65.8 p -65.37 146.52 54.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.3 p -67.62 123.31 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . -48.3 160.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -86.89 -59.76 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.91 0.386 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . 119.89 -83.62 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 57.3 t -155.37 148.01 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . 0.491 ' CG1' ' HG3' ' A' ' 803' ' ' PRO . 87.2 t -129.64 138.99 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.59 137.85 32.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -138.08 148.2 44.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.32 137.87 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -74.46 115.77 14.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 755' ' ' PHE . 4.2 m -58.54 -46.98 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 754' ' ' CYS . 76.7 m-85 -136.12 174.34 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -79.01 122.03 25.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -115.28 149.93 37.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 99.3 m -129.02 93.29 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . . . . . . . . . . . -44.05 130.14 6.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -72.6 -41.61 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 67.3 p -137.8 174.69 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.2 -54.52 5.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -38.66 -45.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -86.21 163.65 17.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.508 HD21 ' C ' ' A' ' 792' ' ' ARG . 53.2 mt -116.14 165.21 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 78.5 p -126.34 126.83 44.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -153.26 151.29 29.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 768' ' ' ARG . 0.3 OUTLIER -90.67 153.04 20.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.8 126.12 8.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 101.59 -35.13 5.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -52.09 112.08 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . 0.454 ' O ' HD23 ' A' ' 773' ' ' LEU . 63.4 t -67.05 153.61 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 772' ' ' VAL . 0.9 OUTLIER -141.88 144.93 34.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -91.72 113.07 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.556 ' CD1' ' CD2' ' A' ' 802' ' ' LEU . 48.4 mt -83.85 88.74 7.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 785' ' ' ARG . 15.1 m170 -48.36 -60.81 2.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -164.12 148.16 9.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -45.22 131.08 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.827 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -101.94 -43.36 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 1.1 t -150.59 -174.96 4.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 36.6 p -57.09 -48.76 77.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -121.1 39.77 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -150.01 160.67 43.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.415 ' CZ2' HD11 ' A' ' 802' ' ' LEU . 59.0 m95 -138.79 175.13 9.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.827 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 22.4 mtp180 -119.21 117.07 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -144.95 179.66 21.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.81 137.72 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -109.78 -176.86 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -54.05 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.77 13.1 68.54 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 3.4 mmt -127.17 156.53 41.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . 0.508 ' C ' HD21 ' A' ' 765' ' ' LEU . 78.1 mtt180 -148.96 134.05 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 176.51 -155.18 18.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 10.8 mt -86.48 174.67 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.764 0.316 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 47.9 mt -142.86 130.99 11.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.451 ' O ' ' CG1' ' A' ' 800' ' ' ILE . 53.2 Cg_endo -69.77 123.08 9.75 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.29 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.551 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 10.4 t60 -75.07 -13.37 60.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -86.87 -33.68 19.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.7 23.84 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 797' ' ' HIS . 2.7 pp -146.07 154.59 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 31.6 m -119.34 112.92 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.193 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 775' ' ' LEU . 71.9 mt -78.12 151.14 78.42 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . 0.491 ' HG3' ' CG1' ' A' ' 749' ' ' VAL . 53.9 Cg_endo -69.82 -176.28 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.341 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -69.39 108.61 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 161.81 -61.12 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.54 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . . . . . . . . . 6.4 t -38.73 137.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 111.204 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -57.12 106.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -85.29 53.0 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -85.14 48.74 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.43 143.34 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.18 135.88 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . 176.77 -117.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . -60.07 125.97 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' SER . . . . . . . . . . . . . 5.9 t -105.37 43.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.914 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 87.0 p -81.15 43.44 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' GLY . . . . . . . . . . . . . . . -176.46 -109.9 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' SER . . . . . . . . . . . . . 60.6 p -62.43 154.77 27.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 72.9 m -126.96 166.43 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' GLY . . . . . . . . . . . . . . . 63.99 57.15 14.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.526 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.43 84.12 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' GLY . . . . . . . . . . . . . . . -156.61 165.88 33.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 88.2 t -141.4 142.77 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' VAL . . . . . . . . . . . . . 83.9 t -107.24 130.51 59.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -100.87 120.72 40.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -113.5 164.0 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' VAL . . . . . . . . . . . . . 91.4 t -108.33 150.76 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -86.33 106.55 17.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' CYS . . . . . . . . . . . . . 11.9 t -57.93 -43.0 86.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -137.89 166.54 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -78.69 124.46 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -119.6 153.98 34.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 759' ' ' GLY . 91.2 m -128.74 89.88 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 758' ' ' THR . . . -34.4 131.4 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.47 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 760' ' ' ARG . 0.7 OUTLIER -72.92 -43.72 62.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' THR . . . . . . . . . . . . . 56.4 p -127.66 174.36 9.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.98 -43.55 60.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.14 -49.27 52.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.2 158.13 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' LEU . . . . . 0.404 HD11 ' H ' ' A' ' 793' ' ' GLY . 47.8 mt -114.1 162.65 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' SER . . . . . . . . . . . . . 8.0 t -124.35 148.11 47.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -168.89 159.83 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 769' ' ' ARG . 3.8 mpt_? -102.96 142.1 34.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 768' ' ' ARG . 2.7 tmm_? -34.45 129.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' GLY . . . . . . . . . . . . . . . 100.81 -39.46 2.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -53.39 111.49 0.71 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 773' ' ' LEU . 91.5 t -65.28 153.24 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' LEU . . . . . 0.421 ' N ' HG12 ' A' ' 772' ' ' VAL . 1.5 mt -140.88 126.18 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 -78.17 124.26 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.612 HD13 ' CE3' ' A' ' 784' ' ' TRP . 57.6 mt -89.88 87.22 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 785' ' ' ARG . 11.0 m170 -57.83 -44.19 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -152.19 162.76 40.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' ARG . . . . . 0.586 ' HD3' ' CH2' ' A' ' 784' ' ' TRP . 6.7 tpt180 -97.29 82.0 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.663 ' HB2' ' HG3' ' A' ' 785' ' ' ARG . . . -44.23 -60.35 1.95 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' SER . . . . . . . . . . . . . 9.3 t -141.83 178.08 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' SER . . . . . . . . . . . . . 69.8 m -69.21 -23.27 63.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.87 -21.77 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -115.95 155.04 28.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' TRP . . . . . 0.612 ' CE3' HD13 ' A' ' 775' ' ' LEU . 60.9 m95 -130.24 172.06 12.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' ARG . . . . . 0.663 ' HG3' ' HB2' ' A' ' 779' ' ' ALA . 61.9 mtt-85 -120.67 110.18 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' GLY . . . . . . . . . . . . . . . -137.82 179.37 18.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' GLU . . . . . 0.402 ' HB3' ' NE2' ' A' ' 776' ' ' HIS . 16.8 tt0 -135.74 111.38 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.78 -176.94 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.68 98.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 69.81 11.03 65.47 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' MET . . . . . . . . . . . . . 33.7 mtm -127.13 150.47 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -139.78 129.93 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.404 ' H ' HD11 ' A' ' 765' ' ' LEU . . . -178.61 -160.89 25.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.54 -179.93 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.317 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 30.2 mt -151.13 132.77 7.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 128.52 16.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 797' ' ' HIS . 24.2 t60 -81.52 -2.38 49.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -99.36 -30.25 12.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -96.95 27.67 3.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.01 158.21 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' THR . . . . . . . . . . . . . 90.2 m -127.89 101.97 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' LEU . . . . . 0.423 HD13 ' HB ' ' A' ' 806' ' ' THR . 64.4 mt -65.93 151.54 95.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -52.56 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' ALA . . . . . . . . . . . . . . . -175.56 -175.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.68 -46.08 3.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' THR . . . . . 0.423 ' HB ' HD13 ' A' ' 802' ' ' LEU . 9.1 t -60.74 -28.1 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -81.1 126.81 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.26 105.55 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -153.8 134.24 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' VAL . . . . . . . . . . . . . 30.5 m -47.26 133.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' VAL . . . . . . . . . . . . . 13.7 p -151.53 142.52 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' GLY . . . . . . . . . . . . . . . -89.24 87.9 1.49 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ALA . . . . . . . . . . . . . . . 59.28 47.38 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.972 . . . . . . . . 0 0 . 1 stop_ save_