data_2n8y_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 2n8y _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 742' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.04 145.17 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.959 0.885 . . . . 50.0 112.236 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 744' ' ' SER . . . . . 0.44 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 31.0 t -90.73 158.07 17.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.889 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -26.63 68.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 50.0 109.578 174.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -81.93 -37.82 26.2 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 110.008 -0.367 . . . . 50.0 110.008 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.45 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 37.7 tp60 -60.56 -41.27 94.24 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.833 -0.347 . . . . 50.0 110.627 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.8 ptp -73.42 -21.12 60.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.749 -0.78 . . . . 50.0 109.184 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.29 -35.03 31.59 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.67 -0.412 . . . . 50.0 111.63 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.27 -34.45 23.81 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.387 -0.525 . . . . 50.0 109.86 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.1 t80 -72.79 -22.74 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.411 -0.806 . . . . 50.0 112.903 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -63.28 -20.17 65.23 Favored 'General case' 0 C--O 1.204 -1.341 0 O-C-N 121.147 -0.971 . . . . 50.0 109.056 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.91 -21.95 62.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.723 0.692 . . . . 25.0 109.966 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.0 t -63.92 -13.26 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.091 -0.381 . . . . 50.0 111.061 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -23.61 49.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.212 1.19 . . . . 50.0 114.212 172.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -3.79 12.48 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.862 0.363 . . . . 50.0 111.249 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -69.71 -54.93 11.47 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.972 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . 0.416 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.12 2.84 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.157 0.429 . . . . 50.0 112.157 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -54.88 104.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.868 0.842 . . . . 50.0 112.773 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.542 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -55.59 -36.24 66.67 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 113.986 -1.461 . . . . 50.0 112.568 -173.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -115.59 -3.51 12.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.438 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 61.47 31.96 18.93 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 64.7 p -69.58 -11.86 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.56 15.48 59.98 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 108.727 -1.749 . . . . 50.0 108.727 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.42 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.247 -0.976 . . . . 25.0 108.42 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.91 124.76 39.14 Favored 'General case' 0 C--O 1.197 -1.687 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.08 -163.58 30.66 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 109.66 -1.376 . . . . 50.0 109.66 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -62.6 -60.57 0.18 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 CA-C-N 120.642 2.221 . . . . 50.0 114.831 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -68.64 -19.05 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.422 1.106 . . . . 50.0 109.614 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.542 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 10.7 mt-10 -83.26 -46.71 12.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.528 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -60.23 -41.6 93.43 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 123.215 0.606 . . . . 50.0 111.263 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -23.78 66.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.751 -0.659 . . . . 50.0 109.905 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.02 23.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . 0.416 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.1 t -62.99 -45.02 94.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.976 0.893 . . . . 50.0 109.329 176.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.97 -18.85 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 115.798 1.777 . . . . 50.0 115.798 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.84 -38.58 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.0 m -78.52 -4.99 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.501 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.9 -13.55 15.77 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.971 -0.381 . . . . 50.0 109.971 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 83.22 52.41 3.8 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 118.569 -1.777 . . . . 25.0 111.122 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.09 162.87 5.3 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 116.799 2.148 . . . . 50.0 116.799 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -91.69 12.74 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.871 0.868 . . . . 25.0 110.942 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 169.08 20.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 107.885 -1.154 . . . . 50.0 107.885 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.34 -171.15 18.37 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.263 -0.97 . . . . 50.0 111.209 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.63 55.13 3.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.613 0.72 . . . . 25.0 109.39 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.46 162.31 53.59 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.525 -1.287 . . . . 50.0 107.525 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.04 -14.58 26.16 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 117.741 -1.039 . . . . 50.0 114.169 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -87.0 -44.63 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.502 -1.296 . . . . 50.0 107.502 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.5 73.82 Favored Glycine 0 C--O 1.204 -1.775 0 C-N-CA 120.369 -0.919 . . . . 50.0 112.688 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.03 -25.88 66.49 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 118.493 1.146 . . . . 50.0 110.767 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.91 -39.35 51.18 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.48 -34.62 67.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.641 -0.709 . . . . 50.0 110.418 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.463 -1.31 . . . . 50.0 107.463 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.13 -31.32 69.92 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.967 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -40.54 94.02 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.0 -41.11 59.83 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -25.77 35.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.391 0.615 . . . . 50.0 110.98 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -78.66 -30.3 46.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 50.0 111.975 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.08 -23.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.826 -0.546 . . . . 50.0 111.92 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 32.5 m -92.59 23.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 122.324 1.059 . . . . 50.0 109.827 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -121.7 61.16 11.98 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.585 -1.188 . . . . 25.0 109.101 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.62 -8.02 22.51 Favored 'Trans proline' 0 C--N 1.35 0.642 0 N-CA-C 114.495 0.921 . . . . 50.0 114.495 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -2.8 19.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.099 -0.704 . . . . 50.0 109.099 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 56.46 41.43 28.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.899 0.88 . . . . 50.0 113.248 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.14 -7.88 16.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.625 -1.171 . . . . 50.0 110.799 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.96 23.56 63.63 Favored Glycine 0 N--CA 1.458 0.145 0 C-N-CA 121.117 -0.563 . . . . 50.0 113.645 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.27 154.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 48.6 t -93.7 125.66 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.304 0.573 . . . . 50.0 109.636 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.2 p -105.94 168.61 9.0 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.904 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.64 -44.17 57.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.862 1.06 . . . . 50.0 113.862 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -74.01 -17.42 60.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.079 0.466 . . . . 50.0 110.157 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.45 -37.1 20.14 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.913 -0.585 . . . . 25.0 111.246 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 65.4 m-85 -59.41 -33.9 71.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.5 . . . . 50.0 111.828 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.4 mm -62.65 -32.2 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 121.82 0.819 . . . . 50.0 110.231 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -49.97 -42.1 48.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.472 -1.24 . . . . 50.0 110.996 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.12 -43.58 28.5 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 120.819 -0.352 . . . . 50.0 111.046 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -31.43 43.36 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 114.558 1.318 . . . . 50.0 114.558 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 42.6 t -77.79 -19.72 54.53 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.406 -1.434 . . . . 50.0 111.132 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -74.67 -21.47 59.39 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.931 -0.396 . . . . 50.0 109.931 177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.44 ' HB3' HE21 ' A' ' 856' ' ' GLN . 3.3 tp10 -53.21 -19.07 2.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.703 1.201 . . . . 50.0 111.969 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.2 p -73.3 5.94 3.24 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -120.57 153.78 36.3 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.129 0.572 . . . . 25.0 110.532 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.05 151.63 42.5 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.432 1.271 . . . . 50.0 114.432 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.25 171.28 16.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.712 174.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -87.34 -35.47 18.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.967 0.889 . . . . 25.0 110.417 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.7 p -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.985 -1.007 . . . . 25.0 110.316 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -55.98 -22.24 25.61 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -36.3 76.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.906 0.86 . . . . 50.0 110.522 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -68.57 -41.96 78.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 50.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.32 -33.68 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.175 -0.61 . . . . 50.0 109.37 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 93.1 mtp -66.23 -20.78 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.896 -0.503 . . . . 50.0 112.247 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.78 65.26 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 25.0 111.011 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 95.4 p -60.28 -26.56 66.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.705 0.631 . . . . 50.0 112.705 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.06 -26.53 68.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 118.206 0.457 . . . . 50.0 111.472 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.29 -35.59 68.75 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.626 -0.672 . . . . 50.0 109.916 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -71.95 -40.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 107.518 -1.29 . . . . 50.0 107.518 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -43.5 97.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.681 -0.691 . . . . 75.0 110.791 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.1 76.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.571 0.7 . . . . 25.0 109.871 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.11 -88.5 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -114.83 -18.59 11.29 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -76.73 155.98 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.925 -0.398 . . . . 50.0 109.925 -172.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -90.09 0.24 57.25 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -144.05 160.31 41.1 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 104.92 -2.252 . . . . 50.0 104.92 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.443 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.4 tp -113.88 149.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 105.733 -1.951 . . . . 50.0 105.733 176.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.4 p -88.6 154.91 19.94 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.56 -32.56 69.02 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -66.61 -32.93 74.57 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.671 -0.695 . . . . 50.0 111.993 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.443 ' HB2' HG13 ' A' ' 843' ' ' ILE . 19.9 mt-10 -71.98 -37.49 69.88 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.925 -0.484 . . . . 50.0 110.67 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.08 -37.95 84.88 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.229 -1.026 . . . . 50.0 108.229 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -82.46 32.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.823 -0.626 . . . . 50.0 110.84 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -124.81 -38.55 2.35 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 106.471 -1.678 . . . . 50.0 106.471 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.462 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -94.42 -20.45 19.7 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.28 -1.327 . . . . 50.0 108.613 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.462 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.4 mt -124.1 85.56 54.64 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 112.314 0.487 . . . . 50.0 112.314 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -54.62 -33.17 78.23 Favored 'Trans proline' 0 CA--C 1.58 2.779 0 N-CA-C 118.491 2.458 . . . . 25.0 118.491 165.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 46.7 Cg_endo -81.62 -167.55 0.51 Allowed 'Trans proline' 0 C--N 1.364 1.355 0 N-CA-C 117.262 1.985 . . . . 50.0 117.262 -174.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.43 -23.01 22.84 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.849 1.055 . . . . 50.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 819' ' ' GLU . 10.1 mp0 -58.92 -29.86 67.4 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.287 -0.565 . . . . 75.0 110.38 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.47 -47.93 77.13 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.37 -0.832 . . . . 25.0 111.727 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.41 -34.78 72.9 Favored 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 120.185 -0.606 . . . . 50.0 111.298 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -50.54 72.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -63.13 -44.35 95.8 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.824 -0.171 . . . . 50.0 110.638 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.57 -41.42 87.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.793 0.33 . . . . 50.0 110.494 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.14 99.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -83.99 -12.65 54.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.813 0.301 . . . . 50.0 111.813 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.414 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.9 ttm -77.74 151.64 34.01 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.877 -0.514 . . . . 50.0 110.924 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.63 129.28 94.11 Favored Pre-proline 0 C--O 1.223 -0.312 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.153 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.43 87.13 1.26 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.397 2.065 . . . . 50.0 114.762 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 107.585 -1.265 . . . . 50.0 107.585 178.601 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.624 0 N-CA-C 114.881 0.712 . . . . 50.0 114.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.57 142.74 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -142.01 146.85 36.01 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 122.432 0.293 . . . . 50.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.32 109.17 18.8 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.488 -0.758 . . . . 50.0 111.411 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.96 -38.27 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.225 -0.898 . . . . 50.0 110.872 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.28 -29.04 19.48 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.692 0.997 . . . . 50.0 113.692 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -98.93 18.44 17.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.943 0.401 . . . . 50.0 110.715 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.414 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 10.9 p90 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 115.367 1.617 . . . . 50.0 115.367 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 CA--C 1.537 0.442 0 CA-C-O 121.949 0.88 . . . . 25.0 109.645 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.87 148.58 10.57 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 CA-C-O 122.018 0.913 . . . . 50.0 111.504 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.4 t -96.78 164.62 12.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.401 -0.818 . . . . 25.0 109.705 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -29.14 67.13 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.231 -0.655 . . . . 50.0 109.231 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -77.95 -39.63 42.0 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 109.356 -0.609 . . . . 50.0 109.356 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.6 tp60 -59.49 -41.42 89.81 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.337 0.398 . . . . 50.0 110.615 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.4 ptp -74.04 -21.16 60.06 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 119.956 -0.698 . . . . 50.0 109.192 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.35 -34.99 31.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.95 -0.3 . . . . 50.0 111.642 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -84.34 -35.43 23.25 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.495 -0.482 . . . . 50.0 109.826 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -72.88 -22.02 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.21 0.819 . . . . 50.0 113.21 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -62.92 -19.55 64.34 Favored 'General case' 0 C--O 1.201 -1.478 0 O-C-N 121.195 -0.94 . . . . 50.0 108.65 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.43 63.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.039 0.836 . . . . 25.0 110.283 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.6 t -63.75 -13.71 46.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.975 0.417 . . . . 50.0 110.935 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -23.7 47.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.001 1.111 . . . . 50.0 114.001 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -2.22 12.26 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 120.693 0.282 . . . . 50.0 111.517 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -56.97 6.9 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.696 0.284 . . . . 50.0 111.037 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.12 5.52 35.15 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.366 -0.379 . . . . 50.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -58.06 103.18 0.13 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.935 0.874 . . . . 50.0 111.158 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.557 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 27.2 mtt180 -60.07 -33.18 71.71 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 113.894 -1.503 . . . . 50.0 113.386 -172.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -115.56 -3.23 12.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.059 -0.519 . . . . 50.0 110.225 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.7 t60 61.04 33.29 19.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.465 1.283 . . . . 25.0 114.465 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 46.7 p -69.47 -11.09 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.35 0.66 . . . . 50.0 112.704 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.39 61.72 Favored Glycine 0 CA--C 1.51 -0.266 0 N-CA-C 108.342 -1.903 . . . . 50.0 108.342 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.5 p -154.32 136.41 14.72 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.032 -1.084 . . . . 25.0 108.583 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.36 126.27 38.4 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 108.279 -1.008 . . . . 50.0 108.279 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.09 -167.55 35.86 Favored Glycine 0 C--O 1.195 -2.32 0 N-CA-C 108.961 -1.655 . . . . 50.0 108.961 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.49 -60.62 0.21 Allowed 'Trans proline' 0 C--N 1.329 -0.497 0 CA-C-N 120.808 2.304 . . . . 50.0 113.933 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.48 -16.81 64.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.817 0.818 . . . . 50.0 110.644 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.557 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 15.6 mt-10 -87.06 -45.62 10.56 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.036 -0.529 . . . . 50.0 110.331 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -58.8 -39.44 81.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.713 0.805 . . . . 50.0 111.713 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -24.99 67.91 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 115.964 -0.562 . . . . 50.0 110.607 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -33.33 21.84 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.16 -44.83 94.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.195 0.998 . . . . 50.0 109.368 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.91 -18.88 61.78 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.202 1.927 . . . . 50.0 116.202 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.24 -37.88 79.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.833 -0.802 . . . . 50.0 108.833 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 32.1 m -72.64 -12.49 61.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.59 -18.98 17.08 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 116.43 -0.35 . . . . 50.0 110.484 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.59 52.49 3.34 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 118.79 -1.672 . . . . 25.0 109.892 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 163.48 3.19 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 116.42 2.008 . . . . 50.0 116.42 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -90.89 13.01 17.68 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.068 0.937 . . . . 25.0 111.018 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.21 174.91 10.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 N-CA-C 106.802 -1.555 . . . . 50.0 106.802 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.26 -168.04 19.21 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.59 -1.404 . . . . 50.0 109.59 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 56.5 3.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.894 0.854 . . . . 25.0 109.743 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . 0.46 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 14.6 t70 -126.5 145.0 51.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 105.043 -2.206 . . . . 75.0 105.043 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 63.1 Cg_endo -63.87 -21.21 69.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 121.426 1.417 . . . . 50.0 113.575 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -81.06 -41.68 22.22 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.354 -1.35 . . . . 50.0 107.354 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.42 -30.29 75.03 Favored Glycine 0 C--O 1.205 -1.7 0 C-N-CA 120.297 -0.954 . . . . 50.0 111.955 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.71 -28.17 68.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.117 0.958 . . . . 50.0 110.393 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.42 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.51 -34.75 70.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.475 0.655 . . . . 50.0 110.286 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.86 -1.163 . . . . 50.0 107.86 174.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.02 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.806 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -59.89 -41.48 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.631 -0.878 . . . . 75.0 108.631 173.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.1 mt -74.42 -39.95 48.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 109.31 -0.626 . . . . 50.0 109.31 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -26.69 37.42 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.553 0.692 . . . . 50.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 19.3 t -77.98 -29.42 49.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 50.0 112.089 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.5 pt -90.58 -23.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.072 0.396 . . . . 50.0 111.821 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.4 23.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.482 1.134 . . . . 50.0 109.347 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -124.83 60.27 25.93 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 114.34 -1.3 . . . . 25.0 107.863 169.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.1 -6.71 19.64 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 118.165 -0.756 . . . . 50.0 114.049 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -102.86 -0.54 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.507 -0.923 . . . . 50.0 108.507 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 803' ' ' ARG . 0.0 OUTLIER 54.13 40.42 31.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.22 1.008 . . . . 50.0 113.695 178.397 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.61 -8.22 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.94 -1.027 . . . . 50.0 110.501 177.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.53 22.16 62.85 Favored Glycine 0 CA--C 1.517 0.159 0 C-N-CA 121.131 -0.557 . . . . 50.0 113.458 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.79 154.05 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 50.0 108.981 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 48.5 t -95.54 123.76 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.547 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.0 OUTLIER -106.56 169.82 8.3 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.364 -177.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.68 -43.32 47.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.188 1.181 . . . . 50.0 114.188 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.547 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.3 OUTLIER -74.25 -17.94 60.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.214 0.53 . . . . 50.0 110.532 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.58 -37.58 19.41 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.105 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.402 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 63.2 m-85 -59.24 -32.22 69.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 50.0 111.249 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.1 mm -62.75 -32.69 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.916 0.865 . . . . 50.0 110.365 -175.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.16 -39.82 57.18 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 114.588 -1.187 . . . . 50.0 111.207 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.39 -43.29 23.69 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 120.847 0.356 . . . . 50.0 110.828 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.75 37.51 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.127 1.529 . . . . 50.0 115.127 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.5 t -78.42 -19.75 52.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.248 -1.533 . . . . 50.0 111.38 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -75.06 -21.42 59.02 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.507 -0.315 . . . . 50.0 110.365 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.46 ' HB3' HE21 ' A' ' 856' ' ' GLN . 3.2 tp10 -49.74 -22.44 1.39 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.346 1.458 . . . . 50.0 113.546 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.3 p -75.27 8.47 2.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -87.05 -127.77 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -154.65 150.0 27.19 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 105.52 -2.03 . . . . 50.0 105.52 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.73 170.18 21.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.041 1.497 . . . . 25.0 115.041 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -86.66 -37.07 18.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.184 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.5 p -64.16 -21.39 66.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.562 0.745 . . . . 25.0 110.158 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -54.95 -27.19 41.7 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.619 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.54 -36.9 74.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.796 0.807 . . . . 50.0 110.909 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -71.85 -43.0 66.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.802 -0.636 . . . . 50.0 111.926 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.7 p -74.23 -32.84 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.2 -0.6 . . . . 50.0 110.207 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.33 -19.03 65.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.897 -0.502 . . . . 75.0 111.953 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.62 65.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.91 -0.493 . . . . 25.0 110.605 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.9 m -64.94 -22.74 67.05 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.636 0.606 . . . . 50.0 112.636 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -65.21 -22.94 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.85 -0.531 . . . . 75.0 110.932 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.04 -34.67 75.59 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.657 -0.652 . . . . 50.0 109.75 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.0 -38.99 44.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.307 -1.368 . . . . 50.0 107.307 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.33 90.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.448 -0.796 . . . . 75.0 110.354 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.63 78.16 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.722 0.772 . . . . 25.0 110.376 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 84.79 -99.13 2.27 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -114.97 -1.23 13.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.56 0.68 . . . . 25.0 112.384 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -87.74 155.5 19.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.504 -0.924 . . . . 50.0 108.504 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -90.49 0.67 57.23 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 113.913 1.079 . . . . 50.0 113.913 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -146.44 161.67 39.9 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 104.615 -2.365 . . . . 50.0 104.615 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.464 HG13 ' HB2' ' A' ' 847' ' ' GLU . 2.9 tp -114.08 148.62 16.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.117 -1.808 . . . . 50.0 106.117 175.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 55.7 p -87.59 154.83 20.3 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.4 mtt -57.62 -34.99 69.89 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.989 -0.745 . . . . 50.0 108.989 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -63.87 -35.73 81.59 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.585 -0.734 . . . . 50.0 112.377 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.464 ' HB2' HG13 ' A' ' 843' ' ' ILE . 16.2 mt-10 -68.51 -36.9 79.51 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.136 -0.353 . . . . 50.0 110.587 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.36 -41.89 75.95 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 108.72 -0.845 . . . . 50.0 108.72 175.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -75.38 14.21 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.058 0.762 . . . . 50.0 113.058 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -113.02 -34.29 5.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.386 -0.968 . . . . 50.0 108.386 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.95 -24.44 20.15 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 89.91 42.54 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.232 -0.44 . . . . 50.0 110.887 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.37 -34.69 81.74 Favored 'Trans proline' 0 CA--C 1.572 2.379 0 N-CA-C 117.613 2.12 . . . . 25.0 117.613 164.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 41.0 Cg_endo -82.47 -168.73 0.63 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 N-CA-C 116.552 1.712 . . . . 50.0 116.552 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.24 -16.61 22.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.787 -1.097 . . . . 50.0 112.845 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 819' ' ' GLU . 6.8 mp0 -58.83 -31.63 68.66 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.517 -0.739 . . . . 75.0 110.303 177.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.94 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.501 -0.48 . . . . 25.0 111.577 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.47 -32.37 62.55 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.777 0.658 . . . . 50.0 112.777 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -49.76 72.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 172.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 94.8 m -64.36 -43.77 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.54 -42.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.222 0.534 . . . . 50.0 110.593 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.86 89.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.693 -0.685 . . . . 25.0 112.577 -174.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -16.12 34.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.388 0.514 . . . . 50.0 112.388 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 7.7 ttm -72.67 157.37 37.67 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.713 -0.617 . . . . 50.0 110.124 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.53 131.05 86.65 Favored Pre-proline 0 C--O 1.221 -0.442 0 O-C-N 121.524 -0.735 . . . . 25.0 109.782 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.28 89.39 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.289 2.659 . . . . 50.0 113.433 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 108.032 -1.099 . . . . 50.0 108.032 179.066 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.611 0 CA-C-O 119.391 -0.672 . . . . 50.0 113.214 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.95 140.5 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 3.7 mt -141.92 149.56 40.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.197 -0.297 . . . . 50.0 110.197 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.07 110.97 21.62 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.767 -0.773 . . . . 50.0 111.136 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -67.5 -38.0 83.66 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.342 -0.844 . . . . 50.0 111.598 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.2 -25.73 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.411 0.893 . . . . 50.0 113.411 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.0 t -104.14 19.42 20.16 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.674 0.273 . . . . 50.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 114.543 1.312 . . . . 50.0 114.543 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.855 0.836 . . . . 25.0 111.778 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.82 149.93 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.27 -0.877 . . . . 50.0 110.204 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.0 p -97.42 164.98 12.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -25.52 67.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.051 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.74 -36.3 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.938 -0.305 . . . . 50.0 110.709 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -61.44 -41.01 96.53 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.262 0.553 . . . . 50.0 110.22 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -73.63 -20.94 60.44 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.333 -0.618 . . . . 50.0 109.333 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -32.94 24.2 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.725 -0.39 . . . . 50.0 110.732 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -36.96 23.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.94 -24.24 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.561 0.949 . . . . 50.0 113.561 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -62.36 -19.6 63.54 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 108.874 -0.788 . . . . 50.0 108.874 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.14 63.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.192 0.906 . . . . 25.0 110.638 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.3 t -64.09 -14.53 55.31 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.103 -0.373 . . . . 50.0 110.875 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -21.48 29.08 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.326 1.232 . . . . 50.0 114.326 172.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -0.31 10.02 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.658 0.266 . . . . 50.0 111.586 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.6 -54.56 8.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.977 0.417 . . . . 50.0 111.021 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . 0.408 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.9 m-85 -104.05 4.04 33.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.382 -0.372 . . . . 50.0 111.343 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -58.37 103.47 0.15 Allowed 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.777 0.799 . . . . 50.0 111.634 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.516 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 56.9 mtt180 -57.95 -32.12 67.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 114.353 -1.294 . . . . 50.0 113.674 -173.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -118.23 1.58 11.9 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.519 0.512 . . . . 75.0 111.197 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 54.82 34.31 21.68 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.1 p -69.48 -8.82 50.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.229 0.825 . . . . 50.0 113.229 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 15.51 65.26 Favored Glycine 0 CA--C 1.51 -0.258 0 N-CA-C 108.615 -1.794 . . . . 50.0 108.615 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -154.65 136.32 14.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.101 -1.05 . . . . 25.0 109.104 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.05 126.29 41.18 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.93 -168.22 39.15 Favored Glycine 0 C--O 1.195 -2.322 0 N-CA-C 108.913 -1.675 . . . . 50.0 108.913 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.76 -60.53 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.478 0 CA-C-N 121.082 2.441 . . . . 50.0 114.471 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -16.86 64.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.624 0.726 . . . . 50.0 110.355 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.516 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 14.8 mt-10 -85.74 -46.2 10.92 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.931 176.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -59.06 -40.1 84.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.071 0.949 . . . . 50.0 111.489 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.91 66.41 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.87 -0.605 . . . . 50.0 111.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.63 -34.31 21.41 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . 0.408 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 50.1 t -61.71 -46.05 91.33 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.177 0.989 . . . . 50.0 109.697 176.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.09 -18.73 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 116.153 1.909 . . . . 50.0 116.153 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.87 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.818 -0.808 . . . . 50.0 108.818 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 44.4 m -76.33 -6.88 53.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.0 -14.25 16.55 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.985 -0.376 . . . . 50.0 109.985 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.26 47.13 6.23 Favored Glycine 0 C--O 1.219 -0.838 0 C-N-CA 118.65 -1.738 . . . . 25.0 110.302 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.32 160.29 1.17 Allowed 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 117.06 2.244 . . . . 50.0 117.06 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -93.31 20.92 6.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.712 0.768 . . . . 25.0 111.063 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.82 172.64 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 106.542 -1.651 . . . . 50.0 106.542 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 785' ' ' ASP . . . 104.21 167.46 24.87 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 121.346 -0.454 . . . . 75.0 112.313 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 62.88 -6.03 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 783' ' ' GLY . 0.0 OUTLIER -141.89 158.8 61.46 Favored Pre-proline 0 C--N 1.317 -0.841 0 C-N-CA 123.304 0.642 . . . . 50.0 110.081 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.77 -20.18 17.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 N-CA-C 114.746 1.018 . . . . 50.0 114.746 -176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -76.55 -33.15 58.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.28 73.07 Favored Glycine 0 C--O 1.207 -1.563 0 C-N-CA 120.701 -0.762 . . . . 50.0 112.628 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.54 -25.15 65.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.433 1.117 . . . . 50.0 110.802 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.93 -36.68 80.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.962 . . . . 50.0 109.922 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . 0.409 ' HA ' HD11 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -61.32 -41.77 97.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 175.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.21 74.58 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 25.0 111.426 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -41.53 99.53 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 792' ' ' PHE . 14.8 mt -68.03 -42.31 85.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -26.98 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.128 0.489 . . . . 50.0 111.466 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -79.42 -30.9 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 50.0 112.053 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -88.45 -23.55 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.598 -0.689 . . . . 50.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 29.6 m -91.93 24.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 122.122 0.963 . . . . 50.0 109.413 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -120.71 62.75 10.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.665 -1.152 . . . . 25.0 109.47 168.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -69.62 -1.86 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 N-CA-C 114.557 0.945 . . . . 50.0 114.557 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -113.32 -1.3 14.29 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.846 -0.534 . . . . 50.0 109.625 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 55.63 41.78 30.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.177 0.991 . . . . 50.0 112.851 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.4 -7.19 16.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 50.0 111.866 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.07 65.25 Favored Glycine 0 N--CA 1.459 0.2 0 C-N-CA 121.137 -0.554 . . . . 50.0 113.801 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.44 152.13 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.426 -0.583 . . . . 50.0 109.426 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 47.3 t -90.31 125.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.5 p -106.09 166.86 10.2 Favored 'General case' 0 C--O 1.204 -1.316 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.833 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -51.04 -42.69 60.64 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.547 0.943 . . . . 50.0 113.547 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.42 -17.1 60.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.134 0.492 . . . . 50.0 110.447 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.77 -36.48 17.28 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.539 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.94 -32.74 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 50.0 110.548 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.86 -32.78 53.11 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 115.224 -0.898 . . . . 50.0 110.998 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.86 -41.86 71.33 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.326 -0.852 . . . . 50.0 110.966 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.23 -39.76 59.69 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.52 0.676 . . . . 50.0 110.503 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -28.71 66.34 Favored 'General case' 0 C--O 1.202 -1.442 0 O-C-N 121.525 -0.734 . . . . 50.0 112.802 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.0 t -84.88 -18.82 33.58 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.373 -1.455 . . . . 50.0 110.394 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -74.24 -19.86 60.37 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.079 -0.509 . . . . 50.0 111.03 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.05 -20.72 1.51 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.64 1.576 . . . . 50.0 114.22 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 60.6 p -70.42 1.97 4.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -108.55 132.06 54.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.607 0.363 . . . . 25.0 110.293 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.33 145.42 53.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.071 -0.513 . . . . 50.0 111.797 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.05 175.96 9.33 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -84.99 -37.84 19.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.59 0.709 . . . . 25.0 110.567 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 1.2 p -65.65 -18.45 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.932 0.893 . . . . 25.0 109.894 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.49 -20.21 59.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.597 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.54 -36.45 71.64 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.75 0.786 . . . . 50.0 110.661 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.05 -41.18 77.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 50.0 111.607 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.13 -33.37 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.388 -0.525 . . . . 50.0 110.295 -175.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 77.5 mtm -69.21 -16.69 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.818 -0.552 . . . . 75.0 110.784 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.47 66.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 10.5 m -63.79 -22.04 66.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.14 -26.55 68.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.783 -0.573 . . . . 50.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.05 63.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.841 -0.799 . . . . 50.0 108.841 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.19 -42.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.26 -1.015 . . . . 50.0 108.26 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.66 -47.39 83.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 50.0 110.365 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.36 96.6 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.126 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.47 -83.47 1.33 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.077 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -111.48 -27.62 8.52 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 120.922 -1.34 . . . . 25.0 113.644 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . 1.563 ' CD ' ' HD3' ' A' ' 840' ' ' LYS . 6.2 pttm -80.81 160.73 24.75 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.149 1.452 . . . . 75.0 109.683 -164.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -86.19 2.77 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 113.524 -1.671 . . . . 50.0 115.069 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -146.32 166.86 25.05 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 105.05 -2.204 . . . . 50.0 105.05 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.4 tp -119.3 148.6 22.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.66 -1.608 . . . . 50.0 106.66 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 80.7 p -85.81 151.06 24.11 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -55.82 -32.41 63.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 50.0 110.451 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.57 -27.23 65.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.147 0.795 . . . . 50.0 113.147 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.84 -36.87 64.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.743 0.306 . . . . 50.0 110.762 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.58 -38.02 83.46 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.476 -1.305 . . . . 50.0 107.476 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -76.31 10.61 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.359 -0.837 . . . . 50.0 112.292 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -105.9 -37.79 6.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.071 -0.714 . . . . 50.0 109.071 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -89.39 -29.49 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.475 -0.784 . . . . 50.0 109.682 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.54 91.16 33.05 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.132 0.419 . . . . 50.0 112.132 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.68 -34.01 89.18 Favored 'Trans proline' 0 CA--C 1.575 2.534 0 N-CA-C 118.067 2.295 . . . . 25.0 118.067 164.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.26 -167.72 0.52 Allowed 'Trans proline' 0 C--N 1.364 1.375 0 N-CA-C 117.185 1.956 . . . . 50.0 117.185 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -50.19 -26.97 5.16 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.103 -1.408 . . . . 50.0 114.0 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.61 -31.53 64.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.457 -0.777 . . . . 75.0 112.37 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.47 -48.41 75.33 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 120.271 -0.571 . . . . 25.0 111.05 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -74.75 -31.34 61.77 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.622 -0.431 . . . . 50.0 111.873 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -51.61 65.63 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.279 -1.008 . . . . 50.0 108.279 170.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.11 -43.99 93.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.326 -0.397 . . . . 50.0 110.441 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.7 mt -58.77 -41.52 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.907 0.384 . . . . 50.0 110.492 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.52 93.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.632 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -82.3 -20.33 37.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.786 0.326 . . . . 50.0 111.531 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.502 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.1 ttm -74.22 152.05 39.83 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.513 0.56 . . . . 50.0 112.513 -175.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -68.06 131.57 92.2 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 120.276 -0.569 . . . . 25.0 110.441 -173.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.9 88.93 0.89 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.434 3.423 . . . . 50.0 114.813 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.875 0.845 . . . . 50.0 109.665 178.569 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.47 0 CA-C-O 119.43 -0.65 . . . . 50.0 111.816 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.76 140.14 47.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -141.92 149.14 39.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.784 -0.189 . . . . 50.0 110.684 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.07 108.81 18.44 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.105 -0.638 . . . . 50.0 111.59 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -65.97 -33.29 75.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.036 -0.984 . . . . 50.0 112.574 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -95.78 -24.68 16.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.891 1.071 . . . . 50.0 113.891 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.5 t -100.14 14.41 30.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.198 0.523 . . . . 50.0 110.269 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 114.87 1.433 . . . . 50.0 114.87 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 121.67 0.747 . . . . 25.0 110.752 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.82 148.81 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.592 0.711 . . . . 50.0 111.554 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.9 t -92.91 159.18 15.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.79 -30.04 71.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 50.0 110.105 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.99 -36.42 36.01 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.495 -0.482 . . . . 50.0 109.893 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -61.34 -40.92 96.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 50.0 111.175 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.5 ptp -74.78 -21.01 59.56 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.99 -39.77 33.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.721 -0.218 . . . . 50.0 111.172 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.46 -36.69 52.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.844 -0.743 . . . . 50.0 109.305 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -73.32 -22.34 60.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.826 1.047 . . . . 50.0 113.826 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -19.62 65.11 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.271 -0.893 . . . . 50.0 108.895 175.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.6 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 118.87 0.759 . . . . 25.0 110.555 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.1 t -64.62 -13.87 55.48 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.754 0.311 . . . . 50.0 110.688 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -21.5 44.3 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.976 1.102 . . . . 50.0 113.976 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 5.19 9.29 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 120.879 0.371 . . . . 50.0 111.105 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -77.15 -53.02 8.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.712 0.291 . . . . 50.0 111.521 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -104.07 3.67 33.48 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.468 -0.333 . . . . 50.0 111.896 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -56.02 104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.152 0.977 . . . . 50.0 112.784 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.467 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -54.41 -32.04 56.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.101 -1.409 . . . . 50.0 113.129 -173.564 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -122.19 1.11 9.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.752 -0.658 . . . . 75.0 111.857 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 79.1 m80 54.46 35.23 22.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 p -71.65 -9.44 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.577 0.751 . . . . 50.0 112.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.18 14.55 64.06 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.085 -1.606 . . . . 50.0 109.085 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.74 136.39 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.333 -0.933 . . . . 25.0 108.889 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -95.02 126.77 40.59 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 107.81 -1.182 . . . . 50.0 107.81 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.51 -166.52 38.74 Favored Glycine 0 C--O 1.198 -2.115 0 N-CA-C 109.194 -1.562 . . . . 50.0 109.194 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.26 -60.38 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 120.709 2.254 . . . . 50.0 114.223 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -14.53 63.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.807 0.813 . . . . 50.0 110.889 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.467 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 14.5 mt-10 -88.71 -44.76 10.34 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.469 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.49 -38.84 81.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.604 0.762 . . . . 50.0 111.565 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -22.9 67.08 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.485 -0.325 . . . . 50.0 111.334 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.61 20.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 121.111 0.481 . . . . 25.0 109.762 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.54 -44.15 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.161 0.981 . . . . 50.0 109.918 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 25.5 mt -63.69 -18.86 64.43 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 116.005 1.854 . . . . 50.0 116.005 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.4 -39.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.1 m -76.63 -5.91 49.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.778 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.41 -13.86 15.51 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 123.332 0.395 . . . . 50.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 84.35 51.54 3.88 Favored Glycine 0 C--O 1.225 -0.459 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.278 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.97 160.89 16.83 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 117.26 2.319 . . . . 50.0 117.26 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.51 11.37 24.29 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.775 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.13 -177.73 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 CA-C-N 115.753 -0.658 . . . . 50.0 111.744 -174.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 102.23 133.32 8.01 Favored Glycine 0 C--O 1.222 -0.653 0 CA-C-N 116.02 -0.536 . . . . 50.0 114.249 170.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 61.16 13.49 4.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -123.91 143.95 43.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 106.982 -1.488 . . . . 50.0 106.982 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.95 -25.45 74.1 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 120.952 1.102 . . . . 50.0 113.977 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -87.25 -47.08 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 50.0 108.174 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.34 -33.9 87.62 Favored Glycine 0 C--O 1.206 -1.633 0 N-CA-C 115.011 0.764 . . . . 50.0 115.011 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.58 -23.95 66.27 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 118.97 1.385 . . . . 50.0 110.715 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.29 -38.34 30.96 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.64 -32.88 68.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.793 -0.64 . . . . 50.0 110.434 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -44.54 83.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.013 -1.106 . . . . 50.0 108.013 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.95 70.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.861 -0.335 . . . . 25.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.1 -38.63 91.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.491 -0.559 . . . . 50.0 109.491 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.11 -41.2 67.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.998 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -24.92 47.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 50.0 111.146 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.2 t -78.25 -28.47 47.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 50.0 112.169 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.1 pt -91.77 -23.56 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.756 -0.59 . . . . 50.0 112.163 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.3 m -92.19 24.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 122.174 0.988 . . . . 50.0 109.825 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -122.69 62.49 17.81 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.355 171.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.0 -9.81 26.89 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.647 0.98 . . . . 50.0 114.647 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -109.46 -1.33 18.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.678 0.275 . . . . 50.0 110.403 -175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 56.58 41.06 29.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.66 0.784 . . . . 50.0 112.638 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 -8.48 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.756 -1.111 . . . . 50.0 110.325 177.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.79 22.75 65.78 Favored Glycine 0 C--O 1.234 0.118 0 C-N-CA 121.102 -0.57 . . . . 50.0 113.83 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.9 151.93 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 41.1 t -90.56 125.18 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 2.0 p -106.67 167.65 9.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.586 -0.733 . . . . 25.0 111.735 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -50.62 -43.08 56.83 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 177.648 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.05 -16.09 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 50.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -88.57 -36.14 16.51 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.262 0.553 . . . . 25.0 111.667 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.406 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 62.6 m-85 -59.24 -31.91 69.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.538 0.685 . . . . 50.0 110.59 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.6 mm -62.01 -31.96 52.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.388 -0.824 . . . . 50.0 110.657 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -54.43 -37.05 64.67 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.126 -0.943 . . . . 50.0 111.193 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.67 -41.85 23.04 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-O 120.737 0.303 . . . . 50.0 110.929 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -30.18 59.25 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 112.991 0.738 . . . . 50.0 112.991 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 2.1 t -79.15 -16.85 56.03 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.73 -1.231 . . . . 50.0 111.928 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -76.64 -21.45 55.45 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 116.224 -0.444 . . . . 50.0 110.384 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -52.06 -21.4 3.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.905 1.282 . . . . 50.0 113.055 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 75.9 p -70.26 -3.19 15.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.58 152.65 23.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.08 142.83 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.064 -0.516 . . . . 50.0 112.11 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.86 159.17 42.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 111.602 0.223 . . . . 25.0 111.602 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.61 -48.1 67.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.177 0.989 . . . . 25.0 110.602 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.3 p -65.59 -15.56 62.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.935 -1.029 . . . . 25.0 112.3 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.33 -21.01 66.0 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.59 -37.14 70.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.813 0.816 . . . . 50.0 110.683 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -68.57 -41.18 80.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.654 -0.703 . . . . 50.0 112.202 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.2 p -81.13 -32.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.535 -0.466 . . . . 50.0 109.833 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.5 mtm -70.25 -12.38 61.55 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.919 -0.488 . . . . 75.0 111.625 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.78 -22.5 62.24 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.043 -0.41 . . . . 25.0 110.04 173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.7 p -59.8 -25.99 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.154 0.798 . . . . 50.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -62.54 -26.7 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.394 0.543 . . . . 50.0 111.349 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -71.1 -33.91 70.6 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.593 -0.692 . . . . 50.0 109.754 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.76 -38.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.932 -1.136 . . . . 50.0 107.932 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.87 95.66 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.204 0.525 . . . . 50.0 110.089 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.27 85.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.071 0.938 . . . . 25.0 109.386 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.74 -83.64 1.35 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.562 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -114.98 -27.68 7.28 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -69.68 151.07 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.016 0.436 . . . . 50.0 110.595 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -84.96 1.09 48.96 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.318 0.859 . . . . 50.0 113.318 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -147.47 161.13 41.7 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 105.565 -2.013 . . . . 50.0 105.565 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -113.06 149.88 15.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 105.841 -1.911 . . . . 50.0 105.841 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.5 p -90.05 154.43 19.81 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.02 -32.99 68.48 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 121.459 0.647 . . . . 50.0 109.416 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.14 -31.03 71.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 50.0 112.587 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.94 -38.31 64.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.099 -0.376 . . . . 50.0 110.587 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.87 -40.24 91.46 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.3 mtp-105 -76.26 16.16 0.49 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.651 0.611 . . . . 50.0 112.651 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -118.39 -38.23 3.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 109.408 -0.59 . . . . 50.0 109.408 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -83.26 -26.63 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.374 -0.602 . . . . 50.0 109.374 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.58 91.45 41.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 122.65 0.38 . . . . 50.0 110.06 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -54.66 -33.54 80.06 Favored 'Trans proline' 0 CA--C 1.571 2.328 0 N-CA-C 117.518 2.084 . . . . 25.0 117.518 165.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -83.08 -169.85 0.8 Allowed 'Trans proline' 0 C--N 1.364 1.382 0 N-CA-C 117.222 1.97 . . . . 50.0 117.222 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.35 -23.46 3.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 113.863 -1.517 . . . . 50.0 113.645 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.96 -31.16 64.71 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.589 -0.694 . . . . 75.0 112.124 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.3 -48.16 82.64 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.244 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.52 -31.41 57.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.341 0.497 . . . . 50.0 112.341 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -49.27 73.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 170.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.89 -42.65 90.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.451 -0.34 . . . . 50.0 110.917 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.9 mt -58.55 -41.6 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.051 0.453 . . . . 50.0 110.034 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.6 87.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.936 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -83.77 -15.22 49.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.92 0.391 . . . . 50.0 111.327 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.518 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.4 ttm -79.81 154.6 28.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.053 0.76 . . . . 50.0 113.053 -177.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.74 131.56 85.87 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.501 -0.479 . . . . 25.0 110.869 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.13 90.5 0.76 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 124.491 3.461 . . . . 50.0 114.477 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 121.61 0.719 . . . . 50.0 112.277 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.419 0 N-CA-C 110.142 -1.183 . . . . 50.0 110.142 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 140.57 47.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.02 149.97 40.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.706 -0.224 . . . . 50.0 111.01 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.65 110.49 21.37 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.025 -0.67 . . . . 50.0 111.525 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.42 -30.42 68.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.1 -0.954 . . . . 50.0 112.225 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -98.22 -20.17 17.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.7 t -105.36 16.76 25.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.341 -0.614 . . . . 50.0 109.341 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 1.7 p90 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.086 1.143 . . . . 50.0 114.086 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 111.749 0.277 . . . . 25.0 111.749 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 142.27 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.662 0.744 . . . . 50.0 109.507 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 744' ' ' SER . . . . . 0.551 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 29.2 t -89.81 157.92 17.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -24.42 67.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.747 -0.66 . . . . 50.0 109.46 173.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.32 -35.7 23.09 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 109.951 -0.388 . . . . 50.0 109.951 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.452 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 43.6 tp60 -62.87 -42.33 99.72 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 120.735 -0.386 . . . . 50.0 110.101 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 7.0 ptp -72.59 -21.07 61.19 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.895 -0.779 . . . . 50.0 108.895 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -40.51 35.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.7 -0.4 . . . . 50.0 110.88 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -78.96 -34.87 43.93 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.695 -0.802 . . . . 50.0 109.584 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -73.68 -21.7 60.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.487 -0.758 . . . . 50.0 112.585 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.15 -20.17 65.81 Favored 'General case' 0 C--O 1.203 -1.351 0 O-C-N 121.253 -0.905 . . . . 50.0 108.7 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.69 -21.3 62.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.832 0.742 . . . . 25.0 110.074 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -63.97 -14.24 52.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.78 0.324 . . . . 50.0 110.948 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -23.6 39.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.029 1.122 . . . . 50.0 114.029 171.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.19 -1.01 10.93 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.912 0.338 . . . . 50.0 111.912 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -70.34 -56.34 6.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.071 0.463 . . . . 50.0 111.223 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.0 4.1 34.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.497 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -56.48 104.53 0.15 Allowed 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 122.303 1.049 . . . . 50.0 112.665 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.486 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 38.8 ttp180 -50.97 -40.4 57.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.064 -1.88 . . . . 50.0 113.133 -176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.39 5.91 11.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.752 -0.658 . . . . 50.0 110.893 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 6.0 t60 57.78 34.62 24.64 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.878 0.847 . . . . 25.0 112.215 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.1 p -75.59 -8.5 56.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 50.0 112.311 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.35 13.92 67.24 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 108.913 -1.675 . . . . 50.0 108.913 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.6 p -154.5 136.35 14.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.022 -1.089 . . . . 25.0 108.221 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.45 127.11 40.15 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.113 -1.069 . . . . 50.0 108.113 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.31 -168.58 36.01 Favored Glycine 0 C--O 1.198 -2.136 0 N-CA-C 109.533 -1.427 . . . . 50.0 109.533 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.91 -57.63 0.5 Allowed 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-N 120.609 2.204 . . . . 50.0 113.663 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.14 -18.71 64.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.748 0.785 . . . . 50.0 110.493 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.486 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.3 mt-10 -88.3 -43.95 11.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.489 -0.778 . . . . 50.0 110.268 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -59.57 -40.5 87.56 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.269 0.628 . . . . 50.0 110.959 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -23.34 66.22 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.71 -0.677 . . . . 50.0 109.901 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.6 -33.7 21.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.59 -45.38 93.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.68 0.752 . . . . 50.0 109.48 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.36 -18.75 60.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 116.087 1.884 . . . . 50.0 116.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.85 -37.32 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.405 -0.961 . . . . 50.0 108.405 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 22.6 t -73.91 -6.92 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.496 -0.775 . . . . 25.0 112.224 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.15 -12.03 14.86 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.042 0.214 . . . . 50.0 110.975 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.5 43.14 8.67 Favored Glycine 0 C--O 1.221 -0.661 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.413 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.9 164.99 0.22 Allowed 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 118.401 2.741 . . . . 50.0 118.401 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -91.71 12.65 20.55 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.519 0.676 . . . . 25.0 111.593 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.14 168.63 23.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.515 -0.766 . . . . 50.0 110.431 -177.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.23 -164.4 11.83 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 109.898 -1.281 . . . . 50.0 109.898 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -87.75 15.09 7.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.39 165.23 45.67 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.94 -14.47 23.84 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.007 -2.196 . . . . 50.0 114.198 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -86.9 -46.6 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.482 -1.303 . . . . 50.0 107.482 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.07 -33.43 85.4 Favored Glycine 0 C--O 1.208 -1.484 0 C-N-CA 120.467 -0.873 . . . . 50.0 114.057 -175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -66.38 -26.27 67.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 118.555 1.177 . . . . 50.0 110.7 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.98 -40.23 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.499 -0.75 . . . . 25.0 109.161 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.28 -34.77 70.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.665 -0.698 . . . . 50.0 110.157 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -43.56 87.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.989 -1.115 . . . . 50.0 107.989 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.576 -0.449 . . . . 25.0 111.877 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -62.61 -40.23 96.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.232 -0.655 . . . . 50.0 109.232 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.99 -41.31 68.41 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 N-CA-C 109.288 -0.634 . . . . 50.0 109.288 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -26.96 42.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.54 0.686 . . . . 50.0 110.646 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.8 t -77.3 -30.54 54.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.652 -0.704 . . . . 50.0 111.948 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.6 pt -90.66 -23.57 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.919 -0.488 . . . . 50.0 112.306 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.32 24.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 122.306 1.05 . . . . 50.0 109.922 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -121.56 61.14 11.46 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 114.648 -1.16 . . . . 25.0 109.305 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.51 -7.58 21.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 114.565 0.948 . . . . 50.0 114.565 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -107.51 -2.46 20.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 50.0 108.86 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 55.79 41.73 29.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.925 0.89 . . . . 50.0 113.305 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.97 -7.55 16.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.641 -1.163 . . . . 50.0 111.087 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.19 22.48 65.35 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.105 -0.569 . . . . 50.0 113.781 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.07 153.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.319 -0.993 . . . . 50.0 108.319 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.29 125.56 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.46 -0.57 . . . . 50.0 109.46 -175.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.3 p -105.56 167.73 9.56 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.631 -0.713 . . . . 25.0 111.814 -176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -42.82 61.15 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.703 1.001 . . . . 50.0 113.703 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.71 -16.95 60.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 50.0 110.556 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.33 -36.93 18.97 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 121.215 0.531 . . . . 25.0 111.366 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 64.7 m-85 -59.19 -34.24 71.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 50.0 111.441 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.35 -31.65 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 CA-C-O 121.546 0.688 . . . . 50.0 110.371 -174.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -49.43 -47.5 48.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.925 -1.034 . . . . 50.0 110.881 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -73.0 -42.35 63.36 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.812 0.339 . . . . 50.0 110.91 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -29.65 51.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 113.937 1.088 . . . . 50.0 113.937 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -81.24 -19.75 42.48 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.634 -1.291 . . . . 50.0 110.762 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -73.27 -21.52 60.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.848 -0.427 . . . . 50.0 109.848 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.418 ' HB3' HE21 ' A' ' 856' ' ' GLN . 2.3 tp10 -53.97 -17.27 2.41 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.957 1.303 . . . . 50.0 113.106 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.6 p -75.05 -0.94 20.62 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.67 146.65 30.51 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.567 0.347 . . . . 25.0 110.98 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.97 143.66 57.8 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.346 0.498 . . . . 50.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.44 171.47 16.01 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.15 -37.35 22.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.408 0.623 . . . . 25.0 110.774 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -21.59 64.39 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.074 0.549 . . . . 25.0 110.382 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -65.9 -20.36 66.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.175 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.94 -34.88 73.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.826 0.822 . . . . 50.0 109.976 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.17 -40.99 86.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.649 -0.705 . . . . 50.0 111.807 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.52 -35.67 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.019 -0.734 . . . . 50.0 109.019 -175.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 39.6 ttp -69.71 -15.12 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 50.0 111.606 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.29 -19.4 8.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.593 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 94.7 p -52.04 -27.76 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.801 1.037 . . . . 50.0 113.801 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -22.75 67.07 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.554 1.07 . . . . 50.0 112.856 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -36.67 43.65 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.42 -42.84 84.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 50.0 109.31 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.09 -45.07 95.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.925 0.343 . . . . 50.0 111.925 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.99 81.88 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.758 0.789 . . . . 25.0 109.018 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.93 -98.02 1.8 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -173.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -124.37 2.5 8.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -69.41 151.08 46.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -80.19 1.4 28.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.924 1.453 . . . . 50.0 114.924 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -151.03 160.49 43.89 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 105.959 -1.867 . . . . 50.0 105.959 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -110.4 149.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 106.504 -1.665 . . . . 50.0 106.504 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 61.3 p -87.99 150.68 23.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 105.528 -2.027 . . . . 25.0 105.528 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -54.96 -35.34 64.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.533 0.683 . . . . 50.0 109.693 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -71.83 -22.38 61.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.803 1.038 . . . . 50.0 113.803 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.43 -37.02 77.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.963 -0.46 . . . . 50.0 109.821 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' A' ' 850' ' ' ARG . 32.8 mt -72.77 -37.96 67.47 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.738 -0.838 . . . . 50.0 108.738 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -80.57 33.35 0.31 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.328 0.651 . . . . 50.0 110.586 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 848' ' ' LEU . 34.3 ttm180 -121.46 -37.08 2.96 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 105.582 -2.007 . . . . 50.0 105.582 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.433 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 25.7 pt-20 -103.39 -17.77 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 113.948 -1.478 . . . . 50.0 108.762 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.433 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.1 mt -124.6 84.96 56.9 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.264 -0.425 . . . . 50.0 111.876 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -63.09 -22.22 73.18 Favored 'Trans proline' 0 CA--C 1.583 2.95 0 C-N-CA 114.144 -3.437 . . . . 25.0 118.466 164.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.551 ' HB3' ' H ' ' A' ' 744' ' ' SER . 35.0 Cg_endo -82.91 -166.42 0.38 Allowed 'Trans proline' 0 C--N 1.366 1.487 0 N-CA-C 116.802 1.808 . . . . 50.0 116.802 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.74 -32.22 13.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.182 -1.372 . . . . 50.0 114.659 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 819' ' ' GLU . 12.1 mp0 -55.34 -30.97 61.29 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.713 -0.221 . . . . 75.0 111.471 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.45 -51.33 58.02 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.39 -0.819 . . . . 25.0 111.554 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.92 -34.84 77.4 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.499 -0.48 . . . . 50.0 110.944 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -51.99 66.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.802 -0.635 . . . . 50.0 109.585 174.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.5 m -62.75 -44.11 97.06 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-O 120.489 0.185 . . . . 50.0 110.821 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 32.1 mt -61.4 -41.7 90.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 122.804 0.442 . . . . 50.0 111.142 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.45 86.86 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.901 -0.59 . . . . 25.0 111.356 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -10.18 58.92 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.948 -0.301 . . . . 50.0 111.607 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 0.3 OUTLIER -74.31 153.31 39.4 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.642 -0.661 . . . . 50.0 112.535 -178.423 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.52 137.32 80.7 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.028 -175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.99 91.77 1.17 Allowed 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 124.81 3.673 . . . . 50.0 115.328 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.496 0.665 . . . . 50.0 109.702 177.674 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 119.231 -0.76 . . . . 50.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.85 138.35 49.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.95 152.56 43.61 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.721 0.267 . . . . 50.0 111.721 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -89.11 107.72 19.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.42 0.628 . . . . 50.0 110.243 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.8 -32.89 70.12 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.926 -1.034 . . . . 50.0 112.0 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -91.45 -26.55 18.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.688 0.995 . . . . 50.0 113.688 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -103.09 17.22 24.59 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.183 0.516 . . . . 50.0 110.499 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.4 p90 . . . . . 0 C--N 1.324 -0.522 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 117.712 2.486 . . . . 25.0 117.712 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.34 147.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 121.269 -0.894 . . . . 50.0 110.893 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 744' ' ' SER . . . . . 0.427 ' HG ' ' HB2' ' A' ' 853' ' ' PRO . 76.6 p -97.35 164.65 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.223 0.535 . . . . 25.0 109.867 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -27.37 68.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.335 -0.393 . . . . 50.0 111.144 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.15 -34.92 23.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.827 -0.349 . . . . 50.0 110.298 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.68 -41.08 94.37 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.804 -0.358 . . . . 50.0 110.67 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.1 ptp -73.17 -21.18 60.74 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.084 -0.646 . . . . 50.0 109.273 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -30.21 24.81 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.629 -0.428 . . . . 50.0 111.579 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.0 -38.11 23.07 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.571 -0.851 . . . . 50.0 108.956 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 66.9 t80 -72.42 -22.42 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.488 0.922 . . . . 50.0 113.488 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -19.56 63.49 Favored 'General case' 0 C--O 1.197 -1.673 0 O-C-N 121.361 -0.837 . . . . 50.0 109.248 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.79 63.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.361 0.982 . . . . 25.0 110.719 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -13.7 57.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.925 -0.485 . . . . 50.0 110.613 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -23.62 50.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.391 0.886 . . . . 50.0 113.391 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -111.25 -14.93 13.74 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.934 0.346 . . . . 50.0 111.934 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -67.49 -49.25 64.37 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.07 0.767 . . . . 50.0 113.07 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 11.3 m-85 -104.13 1.2 30.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 116.27 -0.423 . . . . 50.0 110.529 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -56.17 104.46 0.14 Allowed 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.525 1.155 . . . . 50.0 112.269 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.505 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 29.7 ttp180 -51.33 -42.37 61.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.483 -1.69 . . . . 50.0 112.242 -175.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.59 5.69 11.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.153 -0.931 . . . . 50.0 111.254 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 67.9 m80 56.0 34.37 23.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.0 p -70.75 -10.82 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.421 0.526 . . . . 50.0 112.421 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.06 15.35 62.88 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 108.159 -1.976 . . . . 50.0 108.159 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.58 136.4 14.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.004 -1.098 . . . . 25.0 108.292 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.8 127.45 39.55 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 108.09 -1.078 . . . . 50.0 108.09 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.35 -168.48 33.26 Favored Glycine 0 C--O 1.203 -1.81 0 N-CA-C 109.793 -1.323 . . . . 50.0 109.793 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -62.94 -55.78 0.73 Allowed 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 120.31 2.055 . . . . 50.0 113.964 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.61 -16.83 61.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 50.0 110.331 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.505 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.7 mt-10 -86.39 -45.06 11.53 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.587 -0.733 . . . . 50.0 110.085 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.82 -41.78 87.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 123.365 0.666 . . . . 50.0 111.041 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -24.13 67.44 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.53 -0.759 . . . . 50.0 110.63 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.38 23.98 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . 0.49 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.39 -46.36 88.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.032 0.92 . . . . 50.0 109.501 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.97 -18.87 48.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 116.029 1.863 . . . . 50.0 116.029 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.14 -38.42 80.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.022 -0.733 . . . . 50.0 109.022 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -74.24 -8.82 57.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.615 . . . . 25.0 112.32 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.52 -17.35 15.23 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.125 0.266 . . . . 50.0 110.353 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.34 53.0 3.06 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 118.895 -1.621 . . . . 25.0 110.505 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.75 164.67 5.94 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 116.752 2.131 . . . . 50.0 116.752 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -92.94 12.29 24.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.536 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.51 169.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.843 -0.617 . . . . 50.0 111.139 -177.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.34 -170.67 16.47 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.152 -1.979 . . . . 50.0 108.152 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 24.16 2.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.589 0.694 . . . . 25.0 110.461 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.48 166.92 25.23 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 106.726 -1.583 . . . . 50.0 106.726 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.78 -14.49 24.25 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 115.501 -2.532 . . . . 50.0 113.966 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -87.09 -46.08 10.12 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.447 -1.316 . . . . 50.0 107.447 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.74 92.5 Favored Glycine 0 C--O 1.207 -1.535 0 C-N-CA 120.955 -0.641 . . . . 50.0 113.352 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.89 -25.48 66.41 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.116 0.958 . . . . 50.0 110.748 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.35 31.24 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.412 -0.805 . . . . 25.0 109.087 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.928 -0.767 . . . . 50.0 108.928 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . 0.414 ' HA ' HD11 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -62.3 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.528 -0.916 . . . . 50.0 108.528 175.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.13 71.55 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.922 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -61.46 -43.53 98.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 792' ' ' PHE . 10.5 mt -69.99 -41.51 79.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 108.898 -0.778 . . . . 50.0 108.898 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -27.78 36.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 50.0 110.74 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 10.2 t -78.2 -29.79 48.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.896 -0.593 . . . . 50.0 112.025 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.1 pt -90.19 -23.42 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 122.027 -0.421 . . . . 50.0 111.698 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 29.4 m -92.8 23.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 122.279 1.037 . . . . 50.0 109.672 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -122.6 57.95 10.21 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 114.44 -1.255 . . . . 25.0 108.83 170.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.93 -5.59 17.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 117.367 -1.288 . . . . 50.0 114.39 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.28 -3.15 24.62 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 108.455 -0.943 . . . . 50.0 108.455 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 56.18 41.57 29.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.984 0.914 . . . . 50.0 113.274 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.03 -8.4 16.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.598 -1.183 . . . . 50.0 110.659 176.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.2 23.13 63.95 Favored Glycine 0 N--CA 1.458 0.151 0 C-N-CA 121.185 -0.531 . . . . 50.0 113.845 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.34 154.92 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.348 -0.982 . . . . 50.0 108.348 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 47.2 t -96.27 124.15 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.862 -0.422 . . . . 50.0 109.862 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.519 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.0 OUTLIER -106.96 169.37 8.59 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.471 -177.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -49.61 -43.57 46.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.042 1.127 . . . . 50.0 114.042 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.519 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.5 OUTLIER -74.08 -16.94 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.194 0.521 . . . . 50.0 110.684 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.07 -37.57 17.31 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.617 -0.719 . . . . 25.0 111.31 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 63.2 m-85 -58.96 -33.21 70.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.601 . . . . 50.0 111.454 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.3 mm -62.08 -31.99 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.808 0.813 . . . . 50.0 110.466 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -51.11 -43.7 61.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.836 -1.075 . . . . 50.0 110.997 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.78 -43.66 45.31 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.868 0.366 . . . . 50.0 110.614 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.4 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.8 -30.83 46.66 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.276 1.213 . . . . 50.0 114.276 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 13.9 t -78.35 -19.74 52.8 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.313 -1.492 . . . . 50.0 111.108 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.93 -21.45 51.08 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.68 -0.489 . . . . 50.0 109.68 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.46 ' HB3' HE21 ' A' ' 856' ' ' GLN . 1.1 tp10 -56.47 -10.43 0.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.463 1.505 . . . . 50.0 113.399 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.9 p -73.99 -3.36 28.73 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.784 -0.573 . . . . 25.0 112.118 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -107.27 159.04 16.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.136 0.574 . . . . 25.0 110.823 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.12 152.23 39.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.991 -0.55 . . . . 50.0 111.308 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 164.25 30.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.49 -46.99 71.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.484 1.135 . . . . 25.0 110.094 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 12.4 p -64.16 -18.45 64.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.368 -1.287 . . . . 25.0 112.614 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.66 -20.53 48.93 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.72 -37.09 70.46 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.847 0.832 . . . . 50.0 110.293 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.92 -40.87 78.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.663 -0.699 . . . . 50.0 112.135 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 9.0 p -78.78 -30.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.234 -0.586 . . . . 50.0 109.784 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 62.4 mtt -64.93 -18.15 64.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.808 -0.558 . . . . 50.0 111.774 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.7 63.6 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.876 -0.515 . . . . 25.0 110.919 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 98.4 p -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.963 0.727 . . . . 50.0 112.963 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.31 -26.07 68.22 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.924 -0.485 . . . . 50.0 111.301 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.717 -0.615 . . . . 50.0 109.382 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.6 -40.13 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.288 -1.375 . . . . 50.0 107.288 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.17 96.97 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.674 -0.694 . . . . 75.0 111.534 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.36 71.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 25.0 109.577 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.03 -83.38 1.38 Allowed Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.048 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.01 -27.98 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 14.6 ptmt -71.92 152.23 42.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 50.0 110.744 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -82.48 -6.67 59.45 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.091 -0.504 . . . . 75.0 112.252 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -138.26 162.8 33.39 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 106.064 -1.828 . . . . 50.0 106.064 -175.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.433 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.4 tp -115.51 149.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 105.492 -2.04 . . . . 50.0 105.492 176.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' THR . . . . . 0.435 ' HG1' ' CD ' ' A' ' 847' ' ' GLU . 72.5 p -88.87 156.76 18.73 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 174.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.7 mtt -58.7 -32.33 69.06 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.813 -0.81 . . . . 50.0 108.813 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.87 -34.5 77.94 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 116.012 -0.54 . . . . 50.0 112.341 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.435 ' CD ' ' HG1' ' A' ' 844' ' ' THR . 0.7 OUTLIER -65.26 -43.25 91.9 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.565 -0.531 . . . . 50.0 109.565 177.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.91 -39.26 90.41 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.23 -0.655 . . . . 50.0 109.23 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.71 8.08 3.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.774 0.657 . . . . 50.0 112.774 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -109.57 -37.75 5.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.986 -0.746 . . . . 50.0 108.986 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -82.12 -29.16 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.819 -0.808 . . . . 75.0 108.819 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 89.28 47.25 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 122.597 0.359 . . . . 50.0 111.559 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . 0.427 ' HB2' ' HG ' ' A' ' 744' ' ' SER . 43.9 Cg_exo -54.15 -35.44 82.33 Favored 'Trans proline' 0 CA--C 1.575 2.562 0 N-CA-C 117.453 2.059 . . . . 25.0 117.453 164.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.07 -169.94 0.9 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 N-CA-C 116.542 1.708 . . . . 50.0 116.542 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -59.75 -16.42 27.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.915 1.079 . . . . 50.0 113.915 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 819' ' ' GLU . 9.6 mp0 -58.65 -26.21 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.746 -0.596 . . . . 75.0 109.97 175.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.94 -48.81 67.45 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.453 -0.78 . . . . 25.0 111.525 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.87 -32.98 70.14 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.347 -0.541 . . . . 50.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -52.62 63.42 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.528 -0.76 . . . . 50.0 109.0 172.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.39 -43.01 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.385 -0.126 . . . . 50.0 110.753 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 51.4 mt -58.22 -40.58 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.2 0.524 . . . . 50.0 110.406 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.42 63.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -110.43 -2.41 16.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.984 0.421 . . . . 50.0 109.993 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.448 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -86.44 155.07 20.7 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.119 -0.363 . . . . 50.0 111.596 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -77.91 142.17 64.55 Favored Pre-proline 0 C--O 1.22 -0.5 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.873 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.6 93.34 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.954 3.102 . . . . 50.0 114.777 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 107.864 -1.161 . . . . 50.0 107.864 175.825 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.52 0 N-CA-C 110.719 -0.952 . . . . 50.0 110.719 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.75 142.72 45.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -142.03 147.07 36.26 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.125 0.17 . . . . 50.0 110.779 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -85.71 108.02 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.294 0.568 . . . . 50.0 110.419 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.972 -1.013 . . . . 50.0 111.828 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.24 -29.01 19.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.623 0.971 . . . . 50.0 113.623 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -102.89 20.32 17.68 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.152 0.501 . . . . 50.0 109.931 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.0 p90 . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 114.983 1.475 . . . . 50.0 114.983 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.235 0.334 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.4 149.77 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.287 0.565 . . . . 50.0 110.807 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 744' ' ' SER . . . . . 0.415 ' HG ' ' HB2' ' A' ' 853' ' ' PRO . 59.7 p -97.45 168.22 10.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.964 0.411 . . . . 25.0 110.166 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -27.87 67.17 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.153 0.501 . . . . 50.0 109.898 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -80.8 -39.83 26.07 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 116.185 -0.461 . . . . 50.0 110.797 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.88 -40.43 92.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.713 -0.477 . . . . 50.0 109.713 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.5 -20.97 59.79 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.346 -0.612 . . . . 50.0 109.346 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -31.9 25.84 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.801 -0.36 . . . . 50.0 111.579 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.5 -37.48 21.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.78 -0.768 . . . . 50.0 109.24 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 49.9 t80 -71.76 -21.94 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -19.53 63.11 Favored 'General case' 0 C--O 1.2 -1.516 0 O-C-N 121.175 -0.953 . . . . 50.0 109.0 174.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.01 64.27 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.825 0.739 . . . . 25.0 110.803 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -15.85 58.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 50.0 111.009 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -23.64 43.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.449 1.277 . . . . 50.0 114.449 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -4.06 11.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.766 0.317 . . . . 50.0 111.427 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -69.66 -55.33 10.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.855 0.359 . . . . 50.0 111.834 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -102.59 2.72 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.429 -0.35 . . . . 50.0 111.389 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -56.11 104.43 0.14 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.136 0.969 . . . . 50.0 113.035 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.536 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 43.8 ttp180 -49.09 -43.73 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.221 -1.809 . . . . 50.0 113.131 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.65 4.68 13.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.321 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 5.4 t60 58.3 34.5 24.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.018 0.913 . . . . 25.0 111.752 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.5 p -74.63 -7.69 54.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.77 . . . . 50.0 112.078 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.08 67.55 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 108.947 -1.661 . . . . 50.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -154.48 136.39 14.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.034 -1.083 . . . . 25.0 108.233 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.43 126.83 36.64 Favored 'General case' 0 C--O 1.202 -1.412 0 O-C-N 120.941 -1.099 . . . . 50.0 108.33 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . 0.428 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.44 -169.06 34.62 Favored Glycine 0 C--O 1.199 -2.079 0 N-CA-C 110.188 -1.165 . . . . 50.0 110.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -62.32 -57.52 0.47 Allowed 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 120.359 2.08 . . . . 50.0 113.751 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.52 -17.39 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.632 0.73 . . . . 50.0 110.091 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.536 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 9.7 mt-10 -87.93 -44.8 10.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.777 -0.647 . . . . 50.0 110.399 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -60.04 -39.74 86.96 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.329 0.652 . . . . 50.0 110.904 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -23.93 66.75 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.857 -0.611 . . . . 50.0 110.056 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -35.16 21.33 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.8 t -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.985 0.898 . . . . 50.0 109.248 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.04 -18.7 59.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.885 1.809 . . . . 50.0 115.885 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.42 -40.76 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.382 -0.97 . . . . 50.0 108.382 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.2 m -79.28 -5.78 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.698 -0.683 . . . . 25.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.37 -1.0 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.213 -0.449 . . . . 50.0 110.271 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.94 31.31 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 118.923 -1.608 . . . . 25.0 112.648 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -57.34 164.34 1.87 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 121.537 3.903 . . . . 50.0 121.537 -175.633 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . 0.56 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.2 t70 -76.48 -0.01 21.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.08 2.552 . . . . 25.0 111.617 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.77 177.47 5.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 CA-C-N 115.335 -0.848 . . . . 50.0 111.194 -171.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.58 -172.65 24.13 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 104.897 -3.281 . . . . 50.0 104.897 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.56 19.91 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.342 1.071 . . . . 25.0 111.094 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 17.8 t70 -68.52 149.03 98.13 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 106.565 -1.642 . . . . 75.0 106.565 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 55.8 Cg_endo -60.77 -25.87 81.95 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 N-CA-C 113.615 0.583 . . . . 50.0 113.615 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -81.89 -43.16 18.54 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.276 -1.009 . . . . 50.0 108.276 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.63 87.76 Favored Glycine 0 C--O 1.207 -1.578 0 C-N-CA 120.829 -0.701 . . . . 50.0 113.68 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.99 -25.18 64.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.497 1.148 . . . . 50.0 110.636 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -73.96 -31.24 62.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 50.0 110.506 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -42.11 97.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.171 -1.418 . . . . 50.0 107.171 172.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.16 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -58.24 -37.43 74.89 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.2 -41.77 23.13 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 O-C-N 122.056 -0.402 . . . . 50.0 110.04 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -26.1 39.27 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.565 0.698 . . . . 50.0 110.826 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 25.5 t -76.47 -31.69 57.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 50.0 111.709 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 17.1 pt -92.36 -23.65 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.709 0.633 . . . . 50.0 112.709 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.87 24.27 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 122.32 1.057 . . . . 50.0 109.728 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -121.16 57.48 6.53 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.616 -1.174 . . . . 25.0 109.347 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.03 -7.82 22.25 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 117.458 -1.228 . . . . 50.0 112.907 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -97.42 -9.6 27.0 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 122.53 1.157 . . . . 50.0 110.494 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 53.65 44.69 29.37 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 112.011 -2.359 . . . . 50.0 113.251 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.21 -8.34 13.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.162 -1.381 . . . . 50.0 110.3 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.69 62.22 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 121.102 -0.57 . . . . 50.0 113.114 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.43 156.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.206 -1.405 . . . . 50.0 107.206 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 48.7 t -96.62 123.75 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.949 0.404 . . . . 50.0 109.926 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 7.4 p -102.11 170.12 8.31 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.933 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.34 -44.08 61.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.245 0.832 . . . . 50.0 113.245 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -16.02 60.44 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.547 -0.461 . . . . 50.0 110.261 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.4 -36.4 20.7 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.071 0.462 . . . . 25.0 111.485 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.431 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 66.9 m-85 -59.58 -33.5 71.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.184 0.516 . . . . 50.0 111.935 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -62.9 -31.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.573 0.701 . . . . 50.0 110.402 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -51.89 -40.52 60.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.852 -1.067 . . . . 50.0 111.309 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.56 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.1 t80 -78.22 -43.85 27.27 Favored 'General case' 0 C--O 1.208 -1.094 0 O-C-N 121.82 -0.55 . . . . 50.0 110.112 174.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.5 tpt -61.0 -21.75 63.86 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 116.258 1.947 . . . . 50.0 116.258 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -80.02 -19.6 47.34 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 120.681 -1.262 . . . . 50.0 109.141 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -77.46 -19.79 55.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.614 -0.721 . . . . 50.0 110.444 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.58 -20.38 2.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 121.827 0.822 . . . . 50.0 111.591 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 77.9 p -66.46 3.42 0.97 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.354 1.242 . . . . 25.0 114.354 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -123.7 150.48 44.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.327 0.651 . . . . 25.0 110.057 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.65 148.35 33.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.609 1.337 . . . . 50.0 114.609 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 172.57 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.776 -1.564 . . . . 25.0 106.776 171.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -76.09 -35.06 59.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.785 0.802 . . . . 25.0 109.594 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -21.75 62.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.52 -0.764 . . . . 25.0 111.147 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.84 -21.95 65.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.606 -0.27 . . . . 25.0 111.152 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.16 -33.27 71.95 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.736 0.779 . . . . 50.0 109.962 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -68.86 -37.81 79.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 50.0 111.915 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.22 -37.58 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 109.974 -0.38 . . . . 50.0 109.974 -174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -78.08 -0.87 29.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.04 0.448 . . . . 50.0 111.363 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.25 3.94 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.391 0.676 . . . . 25.0 111.528 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 79.9 p -50.23 -28.6 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.447 0.906 . . . . 50.0 113.447 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -22.78 67.08 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.503 1.047 . . . . 50.0 112.843 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -40.1 58.07 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.975 -1.078 . . . . 50.0 108.385 175.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -66.85 -42.97 89.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.079 -0.711 . . . . 50.0 109.079 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.18 -45.52 93.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.494 -0.321 . . . . 50.0 111.859 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.93 71.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.76 0.79 . . . . 25.0 109.407 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.05 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.216 -0.754 . . . . 25.0 111.216 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -114.79 -3.21 12.81 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.127 0.463 . . . . 25.0 112.23 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -86.46 152.7 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.369 -0.974 . . . . 50.0 108.369 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -88.06 0.66 55.7 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.91 1.078 . . . . 50.0 113.91 -174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -146.59 159.92 42.83 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.304 -2.109 . . . . 50.0 105.304 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.451 HG13 ' HB2' ' A' ' 847' ' ' GLU . 4.4 tp -110.43 148.5 13.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 176.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -86.67 151.2 23.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.704 -1.961 . . . . 25.0 105.704 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -56.06 -33.2 64.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.085 0.469 . . . . 50.0 109.849 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.87 -34.08 77.13 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.749 -0.66 . . . . 50.0 112.708 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.451 ' HB2' HG13 ' A' ' 843' ' ' ILE . 10.7 mt-10 -69.16 -38.12 78.58 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.142 -0.349 . . . . 50.0 110.849 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.7 -39.87 80.29 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 121.938 0.875 . . . . 50.0 108.802 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -80.72 31.87 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 50.0 111.256 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -128.24 -34.65 2.06 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.268 -1.382 . . . . 50.0 107.268 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.437 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -101.13 -18.24 16.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.238 -1.346 . . . . 50.0 109.021 177.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.437 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 11.7 mt -118.25 82.71 18.85 Favored Pre-proline 0 N--CA 1.467 0.418 0 CA-C-O 120.838 0.351 . . . . 50.0 111.758 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . 0.415 ' HB2' ' HG ' ' A' ' 744' ' ' SER . 43.6 Cg_exo -54.64 -33.43 79.36 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 117.336 2.014 . . . . 25.0 117.336 166.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.46 -171.98 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 N-CA-C 116.633 1.743 . . . . 50.0 116.633 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -16.71 17.49 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.819 1.044 . . . . 50.0 113.819 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -56.29 -29.72 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.078 -0.389 . . . . 75.0 110.541 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.19 -50.0 72.02 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.972 -0.455 . . . . 25.0 110.908 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.32 -32.35 64.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 120.365 -0.534 . . . . 50.0 111.237 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -52.42 63.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.463 -0.79 . . . . 50.0 109.351 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.93 -43.88 97.59 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 110.172 -0.307 . . . . 50.0 110.172 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 46.1 mt -59.32 -39.61 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 50.0 110.758 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.21 64.77 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.05 -7.76 17.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.311 0.577 . . . . 50.0 110.554 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.1 ttm -79.79 150.4 30.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.867 -0.52 . . . . 50.0 110.246 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.49 130.4 94.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.058 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.71 88.76 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.616 2.21 . . . . 50.0 114.295 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 108.654 -0.869 . . . . 50.0 108.654 178.387 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.428 0 N-CA-C 109.293 -1.523 . . . . 50.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 139.25 48.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -141.96 144.51 33.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.53 -0.174 . . . . 50.0 110.53 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -85.0 109.52 18.25 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.719 -0.792 . . . . 50.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -69.17 -37.2 78.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.687 -1.142 . . . . 50.0 111.039 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.25 -26.11 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.342 0.867 . . . . 50.0 113.342 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -102.49 19.05 19.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.866 0.365 . . . . 50.0 110.49 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.6 p90 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 115.426 1.639 . . . . 50.0 115.426 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.235 0.332 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.58 144.17 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.512 0.673 . . . . 50.0 110.172 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 744' ' ' SER . . . . . 0.582 ' HG ' ' HB2' ' A' ' 853' ' ' PRO . 59.5 p -97.58 166.86 11.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.455 -177.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -25.05 65.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 50.0 110.812 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -82.16 -39.45 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.907 -0.317 . . . . 50.0 110.572 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.419 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.8 tp60 -59.47 -42.39 91.93 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.011 0.434 . . . . 50.0 110.152 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.5 ptp -73.16 -21.04 60.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.333 -0.618 . . . . 50.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -42.61 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.843 -0.429 . . . . 50.0 109.843 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.52 -35.44 40.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.199 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -70.49 -22.12 62.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -21.66 61.25 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 120.928 -1.108 . . . . 50.0 108.728 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.11 -22.85 67.14 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.993 0.815 . . . . 25.0 111.43 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -17.2 56.36 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.057 -0.402 . . . . 50.0 111.362 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -23.68 45.86 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.408 1.262 . . . . 50.0 114.408 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.58 -8.87 10.37 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.028 0.381 . . . . 50.0 112.028 178.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.46 -51.91 45.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.062 0.458 . . . . 50.0 112.19 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . 0.458 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.2 m-85 -104.05 2.15 31.82 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.445 -0.343 . . . . 50.0 111.354 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -56.99 104.44 0.16 Allowed 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.947 0.879 . . . . 50.0 111.783 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.526 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 60.3 mtt180 -58.5 -33.8 70.22 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 114.034 -1.439 . . . . 50.0 113.418 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -115.59 -2.39 12.51 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.638 0.586 . . . . 75.0 110.805 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.73 30.41 16.8 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.406 1.632 . . . . 25.0 115.406 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 56.6 p -69.54 -11.06 60.53 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.982 1.104 . . . . 50.0 113.982 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.85 61.7 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.755 -1.738 . . . . 50.0 108.755 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.5 136.32 14.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.959 -1.12 . . . . 25.0 108.474 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.89 125.55 41.4 Favored 'General case' 0 C--O 1.195 -1.774 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.93 -167.64 35.66 Favored Glycine 0 C--O 1.196 -2.221 0 N-CA-C 108.917 -1.673 . . . . 50.0 108.917 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -60.67 -60.54 0.25 Allowed 'Trans proline' 0 CA--C 1.534 0.516 0 CA-C-N 120.829 2.314 . . . . 50.0 114.254 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -16.82 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.581 0.705 . . . . 50.0 110.686 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.526 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 13.6 mt-10 -85.37 -45.69 11.66 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.346 -0.612 . . . . 50.0 109.346 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -58.67 -42.17 87.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.843 0.857 . . . . 50.0 111.465 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -23.04 67.19 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.792 -0.64 . . . . 50.0 111.621 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.53 -34.5 21.51 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 45.5 t -62.95 -45.6 91.72 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.116 0.96 . . . . 50.0 109.798 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.77 -18.74 45.67 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.764 1.764 . . . . 50.0 115.764 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.55 -40.26 85.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 57.5 m -79.75 -3.34 47.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.744 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.41 -3.85 17.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.405 -0.361 . . . . 50.0 110.642 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . 0.466 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 79.21 47.09 7.73 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 118.598 -1.763 . . . . 25.0 113.105 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.13 159.58 17.14 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 118.409 2.744 . . . . 50.0 118.409 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -86.99 7.83 25.89 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.832 0.825 . . . . 25.0 111.04 -175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.78 -179.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.94 -1.027 . . . . 50.0 109.211 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -171.74 -162.7 24.44 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.704 -2.158 . . . . 50.0 107.704 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.09 6.79 5.84 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . 0.4 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 20.1 t70 -66.26 143.89 98.5 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 107.192 -1.411 . . . . 50.0 107.192 176.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 58.0 Cg_endo -62.62 -22.71 74.26 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 120.536 0.824 . . . . 50.0 113.968 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.0 -39.17 18.37 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.02 -34.31 89.63 Favored Glycine 0 C--O 1.206 -1.596 0 C-N-CA 121.07 -0.586 . . . . 50.0 112.506 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.55 -27.22 68.28 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.003 0.901 . . . . 50.0 110.942 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.08 -40.09 47.35 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.431 -0.793 . . . . 25.0 109.229 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.16 -33.1 69.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.625 . . . . 50.0 109.588 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.09 99.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.39 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.634 -0.426 . . . . 25.0 111.788 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -60.44 -43.53 96.72 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.262 -0.644 . . . . 50.0 109.262 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.2 mt -70.87 -41.46 77.23 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 N-CA-C 108.86 -0.793 . . . . 50.0 108.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.09 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 50.0 110.96 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.2 t -77.67 -34.35 53.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.103 -0.498 . . . . 50.0 111.89 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.0 pt -83.93 -24.69 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 121.706 -0.621 . . . . 50.0 110.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 24.6 m -93.39 21.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 122.451 1.119 . . . . 50.0 109.38 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -122.76 64.33 22.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.231 -1.349 . . . . 25.0 107.888 167.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 -6.53 19.12 Favored 'Trans proline' 0 C--N 1.348 0.542 0 N-CA-C 114.391 0.881 . . . . 50.0 114.391 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -111.13 -1.82 16.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.34 -0.615 . . . . 50.0 109.34 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.71 40.91 28.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 50.0 112.919 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.37 -6.8 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.147 -0.933 . . . . 50.0 110.894 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.8 20.06 69.11 Favored Glycine 0 N--CA 1.458 0.144 0 C-N-CA 121.229 -0.51 . . . . 50.0 113.857 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.06 151.82 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.89 125.6 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.4 p -104.8 166.75 10.18 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.778 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.38 -41.65 60.83 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.598 0.962 . . . . 50.0 113.598 177.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.21 -17.24 60.39 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.546 -0.462 . . . . 50.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.04 -36.56 18.12 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.249 0.547 . . . . 25.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.421 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.56 -33.85 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.462 0.649 . . . . 50.0 110.896 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.8 mm -60.52 -32.36 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 115.103 -0.953 . . . . 50.0 110.618 -175.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.8 -49.56 62.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.591 -0.731 . . . . 50.0 110.52 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -69.09 -41.33 77.63 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 121.134 0.493 . . . . 50.0 110.534 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.29 -22.55 66.12 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 114.295 1.22 . . . . 50.0 114.295 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 30.5 t -82.1 -19.71 39.6 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.136 -0.977 . . . . 50.0 109.07 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -20.02 57.81 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 116.195 -0.457 . . . . 50.0 110.169 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.83 -21.76 4.59 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 122.002 0.906 . . . . 50.0 111.52 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 69.1 p -67.19 2.42 1.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -118.82 141.13 48.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.099 0.56 . . . . 25.0 110.507 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.431 ' C ' ' HG1' ' A' ' 823' ' ' THR . 2.9 m-20 -67.23 140.47 57.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 50.0 112.584 -176.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' A' ' 822' ' ' ASP . 1.5 m -150.4 156.72 42.03 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.48 -47.87 78.32 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.057 0.932 . . . . 25.0 112.177 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' THR . . . . . 0.466 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 1.4 p -75.6 -21.58 57.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.537 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.31 -25.55 64.28 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.611 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.33 -33.17 69.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.836 0.827 . . . . 50.0 110.145 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -70.75 -37.6 73.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.149 0.796 . . . . 50.0 113.149 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.8 p -76.65 -31.65 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.603 -0.517 . . . . 50.0 109.603 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.86 -9.61 46.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.292 0.479 . . . . 75.0 112.292 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.75 -16.36 4.26 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.731 0.412 . . . . 25.0 111.771 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 89.9 p -50.23 -28.77 8.15 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.493 0.923 . . . . 50.0 113.493 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -22.14 66.64 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.159 -0.963 . . . . 50.0 113.25 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -38.36 53.87 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.013 -1.106 . . . . 50.0 108.013 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.06 -41.88 90.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.427 -0.953 . . . . 50.0 108.427 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.06 -47.44 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.17 0.433 . . . . 50.0 112.17 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.4 90.23 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.34 -85.87 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.887 -0.673 . . . . 25.0 111.922 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -115.01 -19.98 10.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.389 0.885 . . . . 25.0 113.389 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -74.57 154.0 38.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.387 0.613 . . . . 50.0 110.401 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -88.01 1.87 53.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.473 0.916 . . . . 50.0 113.473 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -147.63 160.06 43.08 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 105.627 -1.99 . . . . 50.0 105.627 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' A' ' 847' ' ' GLU . 4.9 tp -111.64 149.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.015 -1.476 . . . . 50.0 107.015 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.6 p -88.46 150.22 23.25 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 65.5 mtt -55.69 -33.28 64.03 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 110.134 -0.321 . . . . 50.0 110.134 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -21.49 59.17 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 112.858 0.688 . . . . 50.0 112.858 -176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.405 ' HB2' HG13 ' A' ' 843' ' ' ILE . 13.6 mt-10 -72.3 -40.01 67.86 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.564 -0.902 . . . . 50.0 108.564 174.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.66 -38.99 92.88 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 108.191 -1.04 . . . . 50.0 108.191 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -80.81 28.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 123.125 0.57 . . . . 50.0 111.377 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -125.82 -39.08 2.15 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.984 -1.487 . . . . 50.0 106.984 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.456 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.4 pt-20 -89.94 -24.11 21.39 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.83 -1.544 . . . . 50.0 106.83 174.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.456 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.1 mt -122.07 81.04 43.42 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.92 -0.582 . . . . 50.0 111.339 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . 0.582 ' HB2' ' HG ' ' A' ' 744' ' ' SER . 35.6 Cg_exo -58.07 -23.75 62.46 Favored 'Trans proline' 0 CA--C 1.583 2.959 0 C-N-CA 114.983 -2.878 . . . . 25.0 118.862 164.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.439 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 32.9 Cg_endo -84.65 -165.1 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.561 0 N-CA-C 117.306 2.002 . . . . 50.0 117.306 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -51.19 -29.49 14.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.249 -1.342 . . . . 50.0 113.934 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -57.63 -31.46 66.28 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.569 -0.452 . . . . 75.0 111.936 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.78 77.38 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.261 -0.899 . . . . 25.0 111.108 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.52 -34.48 74.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.191 -0.604 . . . . 50.0 111.097 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -51.29 69.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.636 . . . . 50.0 109.393 173.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.82 -45.33 93.1 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.536 -0.302 . . . . 50.0 110.371 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 43.9 mt -59.83 -40.72 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 122.506 0.323 . . . . 50.0 110.435 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.52 76.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -8.67 35.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 50.0 112.291 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.4 ttm -79.2 152.92 30.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.506 -0.746 . . . . 50.0 112.007 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -69.02 134.51 89.68 Favored Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 120.083 -0.647 . . . . 25.0 109.984 -173.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.07 89.57 1.16 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 124.088 3.192 . . . . 50.0 114.462 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 121.764 0.792 . . . . 50.0 109.379 178.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.617 0 N-CA-C 111.115 -0.794 . . . . 50.0 111.115 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.8 140.49 47.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.9 mt -141.98 153.68 44.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.519 -0.309 . . . . 50.0 110.204 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -92.05 108.85 20.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.435 0.636 . . . . 50.0 110.517 176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.778 -1.101 . . . . 50.0 111.748 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -92.22 -25.25 18.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.709 1.004 . . . . 50.0 113.709 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 14.2 t -102.75 18.22 21.94 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.926 -0.398 . . . . 50.0 109.926 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 2.9 p90 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 114.057 1.132 . . . . 50.0 114.057 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.41 151.75 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.752 0.787 . . . . 50.0 111.787 176.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.7 t -97.42 159.01 15.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.737 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.582 . . . . 50.0 109.845 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.43 -36.23 29.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.78 -0.368 . . . . 50.0 110.188 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.448 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.9 tp60 -62.23 -41.26 98.25 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.783 -0.367 . . . . 50.0 110.881 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.2 ptp -72.83 -21.55 60.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.996 -0.742 . . . . 50.0 108.996 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -41.16 33.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.836 -0.346 . . . . 50.0 110.577 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.85 -36.15 50.28 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.937 -0.705 . . . . 50.0 109.824 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -72.74 -21.47 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.099 0.777 . . . . 50.0 113.099 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.67 -19.58 63.98 Favored 'General case' 0 C--O 1.2 -1.522 0 O-C-N 121.211 -0.931 . . . . 50.0 109.077 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.49 -20.62 63.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.949 0.795 . . . . 25.0 110.806 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 6.6 t -64.71 -13.11 53.19 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.929 -0.482 . . . . 50.0 110.806 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -23.16 55.95 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.103 1.149 . . . . 50.0 114.103 171.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.19 -10.38 13.86 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.625 0.25 . . . . 50.0 111.551 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -63.77 -58.05 8.04 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.355 0.502 . . . . 50.0 112.355 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.13 6.13 35.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 116.331 -0.395 . . . . 50.0 110.611 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.7 104.54 0.29 Allowed 'General case' 0 CA--C 1.495 -1.168 0 CA-C-O 122.001 0.905 . . . . 75.0 111.432 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.514 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 44.0 mtt180 -55.19 -34.86 64.23 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 112.965 -1.925 . . . . 50.0 113.747 -174.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.45 3.48 13.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.628 -0.715 . . . . 50.0 110.828 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 57.79 33.53 23.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.141 1.534 . . . . 25.0 115.141 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 -18.14 60.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.07 0.767 . . . . 50.0 113.07 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.59 18.19 45.94 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 109.766 -1.333 . . . . 50.0 109.766 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.5 p -154.48 135.74 14.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.97 126.88 42.43 Favored 'General case' 0 C--O 1.201 -1.484 0 N-CA-C 108.045 -1.094 . . . . 50.0 108.045 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.21 -170.22 38.77 Favored Glycine 0 C--O 1.193 -2.434 0 N-CA-C 109.101 -1.6 . . . . 50.0 109.101 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -60.95 -58.44 0.46 Allowed 'Trans proline' 0 C--N 1.327 -0.572 0 CA-C-N 120.946 2.373 . . . . 50.0 113.685 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.55 -16.89 64.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.468 0.652 . . . . 50.0 111.074 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.514 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 11.3 mt-10 -87.57 -44.46 11.23 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 120.374 -0.531 . . . . 50.0 110.823 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -59.45 -39.24 82.98 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 123.708 0.803 . . . . 50.0 110.985 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -22.15 66.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.163 -0.471 . . . . 50.0 110.746 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.74 -35.89 20.51 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.37 -44.76 95.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.915 0.864 . . . . 50.0 110.062 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.79 -18.8 61.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.845 1.795 . . . . 50.0 115.845 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.2 -36.77 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 26.2 t -73.51 -9.07 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.209 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.18 -10.39 14.98 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.052 0.22 . . . . 50.0 111.28 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.23 54.53 3.52 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 118.862 -1.637 . . . . 25.0 111.847 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.56 159.43 21.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 117.038 2.236 . . . . 50.0 117.038 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -95.29 21.17 8.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.281 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.56 165.35 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.758 -1.11 . . . . 50.0 109.379 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.1 -170.42 18.04 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 105.747 -2.941 . . . . 50.0 105.747 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.51 9.11 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.825 0.813 . . . . 25.0 110.804 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.74 154.1 68.25 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.847 . . . . 50.0 109.283 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.26 -25.19 50.04 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 117.189 -1.407 . . . . 50.0 113.57 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -79.42 -43.87 22.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.655 -0.498 . . . . 50.0 109.655 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.04 -30.34 70.0 Favored Glycine 0 C--O 1.21 -1.374 0 C-N-CA 120.371 -0.919 . . . . 50.0 113.909 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.77 -28.78 69.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.238 1.019 . . . . 50.0 109.87 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.8 -38.58 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' A' ' 794' ' ' ARG . 6.7 mm-40 -74.93 -32.15 61.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 50.0 110.82 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -44.53 95.63 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.229 -1.397 . . . . 50.0 107.229 173.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.66 72.14 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.866 -0.333 . . . . 25.0 111.837 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . 0.427 HH21 ' CD ' ' A' ' 791' ' ' GLU . 7.4 tmm_? -60.43 -40.62 91.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 174.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 10.9 mt -73.49 -42.29 56.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 N-CA-C 109.185 -0.672 . . . . 50.0 109.185 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -26.24 38.68 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.135 0.493 . . . . 50.0 111.158 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -77.44 -31.97 54.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.842 -0.617 . . . . 50.0 111.885 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -89.47 -23.46 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.874 -0.516 . . . . 50.0 111.657 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 29.9 m -92.65 21.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.925 0.869 . . . . 50.0 109.901 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -122.36 60.91 14.0 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.63 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -70.18 -5.33 16.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 N-CA-C 114.433 0.897 . . . . 50.0 114.433 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -107.55 -1.97 20.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 56.28 41.46 29.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.964 0.905 . . . . 50.0 112.58 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.5 -8.12 18.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.933 -1.03 . . . . 50.0 110.569 177.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.1 20.47 64.9 Favored Glycine 0 C--O 1.233 0.093 0 C-N-CA 121.227 -0.511 . . . . 50.0 113.628 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.37 153.46 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 53.4 t -93.61 124.46 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.879 -0.785 . . . . 50.0 108.879 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.538 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -107.33 168.49 9.19 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 120.967 0.413 . . . . 25.0 111.51 -176.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.04 -42.31 37.97 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 114.456 1.28 . . . . 50.0 114.456 178.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.538 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.4 OUTLIER -75.91 -15.85 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 50.0 110.621 -179.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -89.22 -36.4 15.65 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.26 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.406 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 71.1 m-85 -59.77 -31.18 69.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 50.0 111.102 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.6 mm -61.75 -31.58 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.595 0.712 . . . . 50.0 110.685 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.69 -48.43 40.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.786 -1.097 . . . . 50.0 110.716 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.73 -39.2 62.01 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 120.953 0.406 . . . . 50.0 111.346 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -33.18 64.31 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 114.043 1.127 . . . . 50.0 114.043 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 39.2 t -79.2 -19.83 49.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.25 -1.531 . . . . 50.0 110.44 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -18.51 61.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.543 0.337 . . . . 50.0 111.705 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.401 ' HB3' HE21 ' A' ' 856' ' ' GLN . 8.3 tp10 -54.63 -17.47 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.707 1.203 . . . . 50.0 111.986 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.9 p -73.76 8.75 1.76 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -128.17 151.84 48.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.24 0.616 . . . . 25.0 109.854 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.32 151.21 46.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.886 1.439 . . . . 50.0 114.886 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.88 171.35 14.18 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.608 172.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.9 -40.33 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.777 0.799 . . . . 25.0 110.181 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.6 p -68.63 -19.27 64.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.319 -0.855 . . . . 25.0 110.68 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.21 -22.43 62.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -35.02 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.78 0.8 . . . . 50.0 110.39 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -71.55 -42.35 67.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.65 . . . . 50.0 112.263 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.94 -30.09 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.396 -0.521 . . . . 50.0 110.013 -173.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.16 -13.03 61.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.696 0.628 . . . . 50.0 112.696 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.72 -19.54 62.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.624 -0.673 . . . . 25.0 110.699 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.9 p -57.32 -27.3 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.65 -27.52 68.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.377 0.535 . . . . 50.0 111.619 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.41 -37.31 80.2 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.843 -0.535 . . . . 50.0 109.604 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.82 -38.64 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.954 -1.128 . . . . 50.0 107.954 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -44.71 96.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 50.0 110.643 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.24 79.75 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.054 0.93 . . . . 25.0 109.468 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 85.82 -102.52 2.67 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 106.141 -2.784 . . . . 25.0 106.141 -171.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -123.59 2.55 8.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.832 1.419 . . . . 25.0 114.832 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.92 152.88 43.19 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.522 -0.918 . . . . 50.0 108.522 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -81.06 1.06 33.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 115.096 1.517 . . . . 50.0 115.096 -174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -152.29 160.81 43.28 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 106.19 -1.782 . . . . 50.0 106.19 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -111.49 149.26 14.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.57 -1.641 . . . . 50.0 106.57 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.0 p -87.83 152.33 22.18 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 106.544 -1.65 . . . . 25.0 106.544 173.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.1 mtt -56.36 -34.51 66.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 121.208 0.528 . . . . 50.0 109.689 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -71.97 -25.56 61.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.108 0.781 . . . . 50.0 113.108 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -71.03 -37.18 72.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.214 -0.661 . . . . 50.0 109.214 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.34 -39.41 81.9 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 108.95 -0.759 . . . . 50.0 108.95 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -75.51 11.48 1.27 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.097 0.559 . . . . 50.0 112.5 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.6 -41.04 4.42 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.215 -1.031 . . . . 50.0 108.215 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -82.89 -26.97 31.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.347 -0.612 . . . . 50.0 109.347 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.36 90.87 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 50.0 110.63 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.39 -33.04 75.32 Favored 'Trans proline' 0 CA--C 1.577 2.645 0 N-CA-C 117.986 2.264 . . . . 25.0 117.986 165.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 26.5 Cg_endo -86.64 -165.76 0.27 Allowed 'Trans proline' 0 C--N 1.364 1.359 0 N-CA-C 116.909 1.85 . . . . 50.0 116.909 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -22.16 8.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.577 1.325 . . . . 50.0 114.577 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 819' ' ' GLU . 8.6 mp0 -60.64 -28.13 68.32 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.564 -0.71 . . . . 50.0 110.499 178.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.385 -0.822 . . . . 25.0 111.976 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.73 -33.4 70.8 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.378 -0.529 . . . . 50.0 110.904 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.68 71.54 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.953 -0.758 . . . . 50.0 108.953 173.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.044 -0.262 . . . . 50.0 110.856 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.55 -41.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.994 0.426 . . . . 50.0 110.882 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.98 67.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.05 -4.94 21.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.932 0.345 . . . . 50.0 111.932 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.423 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -79.81 154.42 28.46 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.563 -0.711 . . . . 50.0 111.323 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.77 136.48 82.91 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.728 -174.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.18 92.29 1.0 Allowed 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 124.223 3.282 . . . . 50.0 114.361 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.319 -0.732 0 CA-C-O 121.606 0.717 . . . . 50.0 112.232 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 CA-C-O 119.525 -0.597 . . . . 50.0 111.953 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.9 138.31 49.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.0 mt -142.0 150.7 41.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.617 0.228 . . . . 50.0 111.617 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -89.07 107.6 19.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.532 0.682 . . . . 50.0 110.957 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -69.63 -33.42 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.526 -1.215 . . . . 50.0 112.009 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -92.75 -23.44 18.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.501 0.926 . . . . 50.0 113.501 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.9 t -107.75 21.34 17.57 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.161 0.505 . . . . 50.0 109.975 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.3 p90 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 114.484 1.29 . . . . 50.0 114.484 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 116.144 1.905 . . . . 25.0 116.144 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 153.34 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 109.22 -0.659 . . . . 50.0 109.22 172.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.4 t -97.55 156.5 16.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 25.0 109.837 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -30.54 71.66 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 176.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.93 -36.93 56.23 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.267 -0.271 . . . . 50.0 110.863 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -61.26 -40.84 95.57 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 121.532 0.682 . . . . 50.0 109.998 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.3 ptp -74.95 -21.32 59.24 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.87 -30.26 26.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.115 -0.493 . . . . 50.0 110.753 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.41 -40.46 17.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.0 t80 -69.86 -20.12 63.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.497 0.925 . . . . 50.0 113.497 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -60.89 -19.96 61.18 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.406 -0.961 . . . . 50.0 108.406 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.16 -23.45 62.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.958 0.799 . . . . 25.0 110.068 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -16.26 48.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.12 0.485 . . . . 50.0 110.59 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -23.54 44.34 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.975 1.102 . . . . 50.0 113.975 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -4.89 12.91 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.782 0.325 . . . . 50.0 111.342 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -68.34 -56.25 9.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.953 0.406 . . . . 50.0 112.07 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -101.83 4.11 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 50.0 111.926 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -57.7 104.43 0.18 Allowed 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.938 0.875 . . . . 50.0 111.951 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.577 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.1 OUTLIER -57.5 -35.42 70.2 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 114.097 -1.411 . . . . 50.0 113.946 -174.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -115.75 -3.66 12.22 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.525 0.516 . . . . 50.0 110.293 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 63.32 30.88 15.59 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 51.8 p -68.97 -10.84 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.417 0.687 . . . . 50.0 112.557 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.93 15.69 60.78 Favored Glycine 0 CA--C 1.51 -0.281 0 N-CA-C 107.646 -2.182 . . . . 50.0 107.646 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.7 p -154.46 136.54 14.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.838 -1.181 . . . . 25.0 108.869 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -95.16 124.78 39.39 Favored 'General case' 0 C--O 1.194 -1.82 0 N-CA-C 108.041 -1.096 . . . . 50.0 108.041 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.15 -166.09 33.23 Favored Glycine 0 C--O 1.196 -2.261 0 N-CA-C 109.491 -1.444 . . . . 50.0 109.491 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -62.33 -59.46 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 120.878 2.339 . . . . 50.0 113.857 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.91 -16.61 64.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 122.119 0.961 . . . . 50.0 111.524 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.577 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 19.9 mt-10 -86.66 -46.67 9.85 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.816 -0.754 . . . . 50.0 109.833 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.4 -41.51 85.07 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.66 0.784 . . . . 50.0 111.28 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.06 67.57 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 116.247 -0.433 . . . . 50.0 110.171 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.25 -34.4 21.97 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.313 0.506 . . . . 25.0 110.494 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.39 -46.84 86.82 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 107.942 -1.133 . . . . 50.0 107.942 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.45 -19.58 37.88 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 116.79 2.145 . . . . 50.0 116.79 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.56 -39.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.342 -0.984 . . . . 50.0 108.342 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.1 m -77.88 -10.02 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.973 -176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.33 -9.06 22.7 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.252 -0.431 . . . . 50.0 110.107 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . 0.417 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 80.66 53.84 3.89 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 118.658 -1.734 . . . . 25.0 111.059 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.76 163.79 8.81 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 116.698 2.11 . . . . 50.0 116.698 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . 0.483 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 51.7 p30 -97.45 17.61 17.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.349 -0.841 . . . . 25.0 110.539 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.44 171.25 18.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 114.957 -1.02 . . . . 50.0 110.082 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.43 -171.94 17.81 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 104.322 -3.511 . . . . 50.0 104.322 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.18 22.46 2.44 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.735 1.267 . . . . 25.0 109.823 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.16 153.78 92.39 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 106.441 -1.689 . . . . 50.0 106.441 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.5 -23.23 50.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 116.195 -2.07 . . . . 50.0 111.667 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -73.87 -46.76 42.77 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.854 -0.795 . . . . 50.0 108.854 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.62 -32.6 81.97 Favored Glycine 0 C--O 1.206 -1.631 0 C-N-CA 120.919 -0.657 . . . . 50.0 112.365 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.62 -29.79 70.8 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 117.94 0.87 . . . . 50.0 110.768 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.91 55.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.39 -35.58 75.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.415 -0.812 . . . . 50.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.6 OUTLIER -62.72 -44.96 94.87 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.274 -1.01 . . . . 50.0 108.274 177.01 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.07 75.03 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.472 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -60.03 -43.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 792' ' ' PHE . 9.1 mt -70.45 -42.6 78.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -27.93 26.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.466 0.65 . . . . 50.0 110.677 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 30.4 t -78.92 -27.87 43.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.904 -0.589 . . . . 50.0 111.816 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.0 pt -92.2 -23.66 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.407 0.549 . . . . 50.0 112.179 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.03 21.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 122.428 1.108 . . . . 50.0 109.852 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -124.2 59.17 17.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.483 -1.235 . . . . 25.0 108.863 175.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.21 -4.43 14.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 114.801 1.039 . . . . 50.0 114.801 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -108.48 -1.69 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 56.94 40.51 28.75 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.355 0.872 . . . . 50.0 113.355 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -8.16 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.819 -1.082 . . . . 50.0 110.88 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.53 24.07 63.67 Favored Glycine 0 N--CA 1.459 0.225 0 C-N-CA 121.277 -0.487 . . . . 50.0 113.804 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.53 154.04 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 54.4 t -96.41 125.88 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 122.675 0.39 . . . . 50.0 109.998 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.54 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.0 OUTLIER -107.06 169.68 8.41 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.638 -178.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.19 -43.6 42.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.54 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.6 OUTLIER -74.48 -17.69 60.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.266 0.555 . . . . 50.0 110.236 -179.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.44 -37.6 19.59 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-O 121.538 0.685 . . . . 25.0 111.148 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 66.5 m-85 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.81 -0.632 . . . . 50.0 112.012 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 9.5 mm -61.1 -32.34 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.888 0.851 . . . . 50.0 110.365 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.34 -50.36 9.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.16 -1.382 . . . . 50.0 110.624 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.483 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 1.6 t80 -77.03 -42.46 38.43 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 119.996 -0.682 . . . . 50.0 111.749 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.15 34.52 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 114.566 1.321 . . . . 50.0 114.566 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 -20.12 50.13 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.088 -1.632 . . . . 50.0 110.86 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -78.27 -21.64 49.51 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.174 0.511 . . . . 50.0 110.417 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.515 ' HB3' HE21 ' A' ' 856' ' ' GLN . 1.7 tt0 -59.74 -7.41 1.58 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.326 1.45 . . . . 50.0 112.556 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 74.8 p -80.35 -0.82 38.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.775 -0.578 . . . . 25.0 111.651 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -110.01 161.08 15.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.834 0.454 . . . . 25.0 110.266 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.46 148.41 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.246 -0.279 . . . . 50.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.81 159.74 41.5 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 121.854 0.062 . . . . 25.0 111.139 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.39 -35.73 79.9 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.914 1.34 . . . . 25.0 109.943 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' THR . . . . . 0.417 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 2.9 p -74.92 -16.32 60.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 112.344 -2.207 . . . . 25.0 113.209 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.41 ' HA ' HG11 ' A' ' 829' ' ' VAL . . . -48.53 -26.46 2.19 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -177.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.85 -37.8 74.52 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.996 0.903 . . . . 50.0 110.192 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -68.75 -39.95 80.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 50.0 111.948 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 826' ' ' ALA . 7.8 p -76.72 -36.33 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 50.0 109.276 -177.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 95.1 mtp -66.27 -16.26 63.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.22 0.452 . . . . 50.0 112.22 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.74 62.81 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 122.116 -0.365 . . . . 25.0 111.155 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 99.6 p -62.33 -24.92 67.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.247 -0.283 . . . . 50.0 111.647 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -65.62 -22.71 66.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.215 -0.303 . . . . 75.0 111.759 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -69.09 -36.96 78.16 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.65 -41.35 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.516 -1.29 . . . . 50.0 107.516 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -46.39 89.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.492 -0.776 . . . . 50.0 111.044 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.65 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.147 0.975 . . . . 25.0 108.763 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 87.78 -102.34 2.8 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -114.98 3.44 14.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.715 0.757 . . . . 25.0 112.984 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -89.54 155.04 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 50.0 107.785 -175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -79.13 -11.49 59.98 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.571 1.323 . . . . 50.0 114.571 -176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -136.93 169.05 18.41 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.508 HG13 ' HB2' ' A' ' 847' ' ' GLU . 2.4 tp -123.05 146.88 27.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 105.321 -2.103 . . . . 50.0 105.321 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 44.2 p -85.56 152.8 22.87 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.147 -2.168 . . . . 25.0 105.147 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.1 mtt -54.28 -37.07 64.33 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.487 -0.931 . . . . 50.0 108.487 173.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.99 -31.19 69.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.265 -0.88 . . . . 50.0 113.245 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.508 ' HB2' HG13 ' A' ' 843' ' ' ILE . 8.5 mt-10 -66.22 -37.97 86.82 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.42 -43.83 80.27 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 107.605 -1.257 . . . . 50.0 107.605 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -76.5 28.21 0.12 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.289 0.636 . . . . 50.0 111.403 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -127.57 -34.0 2.26 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 106.746 -1.576 . . . . 50.0 106.746 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.419 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 15.1 pt-20 -96.77 -25.89 15.34 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.76 -1.564 . . . . 50.0 107.093 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.6 mt -119.57 81.83 24.81 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 123.179 0.592 . . . . 50.0 110.404 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -63.16 -22.17 72.77 Favored 'Trans proline' 0 CA--C 1.575 2.547 1 C-N-CA 113.178 -4.081 . . . . 25.0 116.948 167.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.9 -167.4 0.48 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 N-CA-C 116.731 1.781 . . . . 50.0 116.731 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -25.89 4.95 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 116.738 2.125 . . . . 50.0 116.738 176.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.515 HE21 ' HB3' ' A' ' 819' ' ' GLU . 15.5 mp0 -57.22 -30.17 64.36 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.686 -0.487 . . . . 75.0 109.686 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.7 71.3 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 121.826 -0.546 . . . . 25.0 110.943 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.35 -36.49 76.94 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 120.211 -0.596 . . . . 50.0 110.651 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -53.31 59.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.071 -1.085 . . . . 50.0 108.071 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.1 -42.46 99.59 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.996 0.369 . . . . 50.0 111.996 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.18 -41.34 86.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.28 -17.44 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.34 5.83 13.62 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 121.993 -0.442 . . . . 50.0 110.53 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -89.98 162.46 15.38 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.93 -0.482 . . . . 50.0 111.579 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -79.69 132.92 59.94 Favored Pre-proline 0 C--O 1.22 -0.487 0 O-C-N 122.17 -0.331 . . . . 25.0 110.822 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.63 87.69 0.94 Allowed 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.77 2.98 . . . . 50.0 114.479 -176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 122.06 0.933 . . . . 50.0 112.514 -178.683 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 N-CA-C 110.602 -0.999 . . . . 50.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.54 137.5 50.67 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.3 mt -142.15 145.48 34.25 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 122.811 0.069 . . . . 50.0 110.866 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.48 115.57 22.13 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.556 -0.858 . . . . 50.0 110.459 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -67.18 -40.47 86.56 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.542 0.526 . . . . 50.0 111.827 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.19 -30.2 18.72 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.485 1.291 . . . . 50.0 114.485 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.1 t -97.82 17.56 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.784 0.326 . . . . 50.0 110.174 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 15.9 p90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 115.355 1.613 . . . . 50.0 115.355 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 114.457 1.28 . . . . 25.0 114.457 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.47 146.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 117.566 2.432 . . . . 50.0 117.566 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 83.2 p -97.5 168.0 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.37 -0.832 . . . . 25.0 109.886 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -27.84 66.56 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.276 -0.42 . . . . 50.0 110.447 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.93 -39.16 26.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.096 -0.335 . . . . 50.0 110.096 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -60.23 -39.2 85.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.086 0.469 . . . . 50.0 110.873 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.31 -21.06 58.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.6 -33.23 31.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.864 -0.334 . . . . 50.0 110.655 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.49 -38.48 26.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.259 -1.015 . . . . 50.0 108.259 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 47.3 t80 -73.22 -21.3 60.67 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 113.501 0.926 . . . . 50.0 113.501 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -63.49 -19.85 65.11 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 107.072 -1.455 . . . . 50.0 107.072 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.77 68.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-O 122.054 0.93 . . . . 25.0 112.789 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.3 p -58.4 -22.57 54.45 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.135 -0.978 . . . . 75.0 110.008 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -23.49 22.7 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.746 1.387 . . . . 50.0 114.746 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -2.19 10.64 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -68.24 -57.45 5.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.967 -0.561 . . . . 50.0 110.539 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -104.14 5.83 35.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.656 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -57.19 103.82 0.14 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 122.395 1.093 . . . . 50.0 112.385 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.504 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 34.1 ttp180 -53.88 -37.68 63.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.002 -1.908 . . . . 50.0 113.462 -175.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.45 4.93 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.08 -0.509 . . . . 50.0 110.905 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 4.7 t60 56.82 34.99 25.64 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.212 1.006 . . . . 25.0 112.531 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 63.0 p -75.58 -6.44 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.554 -0.748 . . . . 50.0 111.608 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.35 14.56 68.38 Favored Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 108.103 -1.999 . . . . 50.0 108.103 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.36 14.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.606 -1.297 . . . . 25.0 109.22 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.7 129.13 40.13 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 107.679 -1.23 . . . . 50.0 107.679 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . 0.419 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.8 -166.72 40.88 Favored Glycine 0 C--O 1.195 -2.339 0 N-CA-C 108.63 -1.788 . . . . 50.0 108.63 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.84 -63.72 0.12 Allowed 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 120.956 2.378 . . . . 50.0 114.325 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.39 -16.73 64.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.897 0.856 . . . . 50.0 110.548 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.504 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 15.0 mt-10 -85.15 -45.88 11.63 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 119.427 -0.909 . . . . 50.0 109.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -59.05 -42.29 89.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 123.383 0.673 . . . . 50.0 111.09 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -23.72 67.37 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.016 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.62 -35.06 21.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.12 -44.87 95.7 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.35 -21.23 61.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 116.04 1.867 . . . . 50.0 116.04 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 34.6 mt -63.81 -36.72 77.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.4 t -73.01 -5.3 37.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.195 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.91 -22.18 12.31 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.019 0.2 . . . . 50.0 111.502 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.52 51.8 2.11 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 119.446 -1.359 . . . . 25.0 110.608 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.07 165.34 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 117.404 2.372 . . . . 50.0 117.404 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . 0.415 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 31.4 p-10 -99.15 15.12 27.0 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.937 0.895 . . . . 25.0 110.991 -175.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.98 172.12 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.671 -1.233 . . . . 50.0 107.671 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 785' ' ' ASP . . . -158.99 -164.37 14.31 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 107.322 -2.311 . . . . 50.0 107.322 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -83.8 23.29 1.01 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.856 0.836 . . . . 25.0 109.191 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 783' ' ' GLY . 7.5 m-20 -80.67 154.53 73.55 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.101 -0.954 . . . . 50.0 110.937 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -64.81 -23.07 62.96 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.281 -1.346 . . . . 50.0 113.349 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -87.13 -45.28 10.83 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.58 90.32 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 120.668 -0.777 . . . . 50.0 114.891 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -65.3 -26.67 68.16 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 118.518 1.159 . . . . 50.0 110.492 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.93 -41.31 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.57 -34.07 71.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.715 -0.675 . . . . 50.0 110.095 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -49.21 76.61 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.815 -1.18 . . . . 50.0 107.815 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.95 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 25.0 111.62 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.27 -40.14 96.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.404 -0.591 . . . . 50.0 109.404 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.57 -42.12 63.35 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 N-CA-C 107.859 -1.163 . . . . 50.0 107.859 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.72 32.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.29 0.567 . . . . 50.0 111.272 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 33.4 t -83.05 -18.41 39.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.434 -0.803 . . . . 50.0 112.451 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.3 pt -99.23 -23.55 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 27.5 m -92.42 23.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.827 0.822 . . . . 50.0 111.192 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.78 64.17 31.19 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 121.952 0.882 . . . . 25.0 108.837 167.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.16 5.87 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.538 2.158 . . . . 50.0 115.977 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -0.77 14.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.109 -1.812 . . . . 50.0 106.109 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 56.32 39.9 30.0 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.083 1.353 . . . . 50.0 114.026 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -6.25 21.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.764 -1.107 . . . . 50.0 112.27 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.02 25.6 63.93 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.926 -0.654 . . . . 50.0 113.83 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.68 152.82 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.741 -0.837 . . . . 50.0 108.741 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.73 126.05 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.06 0.457 . . . . 50.0 109.787 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.1 p -105.6 165.65 11.0 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.326 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -50.46 -42.15 53.97 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 114.036 1.124 . . . . 50.0 114.036 178.342 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.51 -18.14 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.173 0.511 . . . . 50.0 110.28 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.6 18.75 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.131 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.421 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 64.6 m-85 -57.08 -33.07 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.517 0.675 . . . . 50.0 110.993 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.8 -32.74 50.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.173 -0.922 . . . . 50.0 111.016 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.55 -46.93 57.86 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.258 -0.883 . . . . 50.0 110.348 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.415 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.0 t80 -75.2 -37.99 60.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.986 0.898 . . . . 50.0 110.673 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -27.41 65.75 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 121.063 -1.023 . . . . 50.0 112.505 177.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -22.51 32.41 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.694 -1.254 . . . . 50.0 110.179 176.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -69.77 -22.14 63.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.737 -0.665 . . . . 50.0 110.613 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.524 ' HB3' HE22 ' A' ' 856' ' ' GLN . 18.2 tp10 -49.67 -30.1 8.51 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.708 1.603 . . . . 50.0 114.671 -179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 76.4 p -70.17 3.69 2.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.11 -152.29 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 121.453 0.644 . . . . 25.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.02 149.0 46.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.331 -2.1 . . . . 50.0 105.331 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.14 163.14 38.44 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -75.9 -41.72 51.1 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.534 1.159 . . . . 25.0 109.513 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 41.0 p -66.7 -16.31 64.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.713 -1.131 . . . . 25.0 110.876 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.409 ' HA ' HG13 ' A' ' 829' ' ' VAL . . . -57.48 -24.52 56.27 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.9 -33.84 72.39 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.897 0.856 . . . . 50.0 110.347 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.84 -38.03 67.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.084 -0.507 . . . . 50.0 111.808 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.409 HG13 ' HA ' ' A' ' 826' ' ' ALA . 12.1 p -81.52 -35.71 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.184 -0.607 . . . . 50.0 111.438 -175.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -66.27 -18.04 65.12 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.722 -0.611 . . . . 50.0 110.842 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.13 -28.93 63.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.256 0.55 . . . . 25.0 109.679 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.7 m -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.458 0.911 . . . . 50.0 113.458 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.35 -26.64 68.85 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.763 -0.586 . . . . 50.0 111.092 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.84 70.12 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.117 -0.698 . . . . 50.0 109.117 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.13 -39.48 28.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.075 -1.454 . . . . 50.0 107.075 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -47.09 85.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.457 -0.792 . . . . 50.0 110.387 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -70.16 -41.95 73.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.048 0.928 . . . . 25.0 109.911 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.3 -86.87 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.607 -0.997 . . . . 25.0 110.607 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -115.03 -24.34 8.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -69.77 150.66 46.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.3 0.572 . . . . 50.0 110.929 -173.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -83.94 2.05 40.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.626 0.973 . . . . 50.0 113.626 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -149.51 161.16 42.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 105.2 -2.148 . . . . 50.0 105.2 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.438 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.5 tp -112.75 150.85 14.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.178 -1.786 . . . . 50.0 106.178 177.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 70.5 p -91.15 154.71 19.15 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.3 mtt -57.55 -34.21 68.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.938 -0.764 . . . . 50.0 108.938 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.67 -33.12 75.21 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.326 -0.852 . . . . 50.0 111.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.438 ' HB2' HG13 ' A' ' 843' ' ' ILE . 41.1 mt-10 -71.45 -36.94 71.41 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.988 -0.445 . . . . 50.0 110.53 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.98 -38.76 83.11 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 107.671 -1.233 . . . . 50.0 107.671 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -75.04 7.24 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.794 0.664 . . . . 50.0 112.794 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.42 -32.66 8.92 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.999 -1.112 . . . . 50.0 107.999 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -93.68 -28.14 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.322 -0.854 . . . . 50.0 110.281 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.5 90.98 46.32 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.74 0.416 . . . . 50.0 111.298 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.69 -28.5 76.66 Favored 'Trans proline' 0 CA--C 1.57 2.279 0 C-N-CA 114.616 -3.123 . . . . 25.0 117.058 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.89 -172.36 1.4 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 116.602 -1.799 . . . . 50.0 116.649 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -16.4 2.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.798 1.639 . . . . 50.0 111.769 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.524 HE22 ' HB3' ' A' ' 819' ' ' GLU . 25.1 mm-40 -54.59 -34.43 61.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.13 82.89 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.766 -0.374 . . . . 25.0 110.818 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.34 -32.87 66.86 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.416 -0.514 . . . . 50.0 112.315 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -50.98 68.94 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.468 -0.938 . . . . 50.0 108.468 172.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.63 -42.67 98.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.959 -0.564 . . . . 50.0 110.455 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.88 -41.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 122.853 0.461 . . . . 50.0 110.212 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -12.13 50.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.443 -0.344 . . . . 50.0 111.808 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.431 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -81.09 153.14 27.49 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.142 -0.349 . . . . 50.0 111.225 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.8 133.13 86.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.338 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.4 88.62 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.549 2.832 . . . . 50.0 115.26 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.281 -1.007 . . . . 50.0 108.281 178.862 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.606 0 CA-C-O 119.095 -0.836 . . . . 50.0 114.445 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 139.59 48.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.98 149.96 40.75 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.389 0.144 . . . . 50.0 111.389 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -90.73 110.01 21.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.509 0.671 . . . . 50.0 110.544 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -70.11 -36.43 74.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.659 -1.155 . . . . 50.0 111.926 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -89.26 -25.97 21.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.962 0.727 . . . . 50.0 112.962 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.2 t -103.95 20.27 18.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.651 0.262 . . . . 50.0 110.99 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.431 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 4.4 p90 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 116.547 2.054 . . . . 50.0 116.547 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.54 149.21 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.061 -1.088 . . . . 50.0 108.061 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.1 t -95.27 155.94 16.53 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.99 -0.444 . . . . 25.0 109.864 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -28.76 69.91 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 108.54 -0.911 . . . . 50.0 108.54 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.88 -36.72 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.367 -0.379 . . . . 50.0 110.723 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -62.33 -41.61 98.7 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 121.472 0.654 . . . . 50.0 110.038 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.49 -21.04 61.27 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.999 -0.741 . . . . 50.0 108.999 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -42.32 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.714 -0.395 . . . . 50.0 110.632 -175.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -38.39 63.79 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.151 -1.055 . . . . 50.0 108.151 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.4 t80 -70.51 -27.34 64.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.569 0.952 . . . . 50.0 113.569 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -20.92 66.37 Favored 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.458 -0.942 . . . . 50.0 108.458 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.85 -23.33 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 118.454 0.57 . . . . 25.0 109.751 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.4 t -63.07 -13.24 33.56 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.048 -0.407 . . . . 50.0 110.883 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -56.02 -23.76 35.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.483 0.92 . . . . 50.0 113.483 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.72 -13.31 12.68 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.769 0.319 . . . . 50.0 111.399 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.06 -51.93 48.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.175 0.805 . . . . 50.0 113.175 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.52 1.44 38.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.361 -0.381 . . . . 50.0 111.637 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -56.62 103.0 0.09 Allowed 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.839 0.828 . . . . 50.0 111.781 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.531 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 38.8 mtt180 -55.41 -35.6 65.54 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 114.056 -1.429 . . . . 50.0 113.645 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -115.61 -3.09 12.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.848 -0.614 . . . . 75.0 111.025 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.0 t60 60.39 33.04 20.77 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.074 1.509 . . . . 25.0 115.074 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 59.5 p -70.3 -10.43 58.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.341 0.656 . . . . 50.0 112.431 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.83 16.4 56.44 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 107.582 -2.207 . . . . 50.0 107.582 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.95 137.56 13.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.721 -0.74 . . . . 25.0 109.718 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.78 125.59 37.47 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 108.205 -1.035 . . . . 50.0 108.205 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.26 -164.71 37.98 Favored Glycine 0 C--O 1.198 -2.097 0 N-CA-C 109.413 -1.475 . . . . 50.0 109.413 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.79 -60.76 0.19 Allowed 'Trans proline' 0 C--N 1.33 -0.444 0 CA-C-N 120.874 2.337 . . . . 50.0 114.881 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.48 -16.88 64.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.963 0.887 . . . . 50.0 110.928 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 7.0 mt-10 -87.26 -46.15 9.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.242 -0.89 . . . . 50.0 109.561 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.36 -42.26 91.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 123.506 0.722 . . . . 50.0 110.768 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -22.43 66.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 116.093 -0.503 . . . . 50.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.65 -35.38 20.96 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.1 t -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.124 0.964 . . . . 50.0 108.555 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 20.6 mt -57.51 -18.8 20.77 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 116.587 2.069 . . . . 50.0 116.587 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.68 -39.23 83.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.797 -0.816 . . . . 50.0 108.797 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.9 m -75.01 -14.2 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.245 -175.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.95 -15.15 22.54 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.254 -0.43 . . . . 50.0 109.989 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.32 50.37 3.86 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 118.948 -1.596 . . . . 25.0 111.056 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.38 160.82 10.19 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.538 2.051 . . . . 50.0 116.538 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.37 13.44 19.46 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.817 0.818 . . . . 25.0 111.321 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.39 174.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.044 -0.98 . . . . 50.0 108.73 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.64 -160.84 9.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.898 -2.081 . . . . 50.0 107.898 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 4.95 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.684 0.742 . . . . 25.0 109.805 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -72.17 148.77 91.59 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 107.005 -1.48 . . . . 50.0 107.005 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.61 -22.9 37.34 Favored 'Trans proline' 0 CA--C 1.521 -0.161 0 CA-C-N 118.363 0.451 . . . . 50.0 112.257 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.18 -39.91 82.39 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.984 -0.747 . . . . 50.0 108.984 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -84.08 -30.94 27.13 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.264 -0.97 . . . . 50.0 112.657 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.97 -26.23 68.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 118.461 1.13 . . . . 50.0 110.675 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -76.01 -34.76 59.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.175 -0.92 . . . . 50.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . 0.403 ' HA ' HD11 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.04 -43.22 95.5 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.769 -1.197 . . . . 50.0 107.769 175.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.54 -32.12 71.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.09 0.471 . . . . 25.0 111.416 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 792' ' ' PHE . 16.2 mt -71.48 -41.63 72.82 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.027 -0.731 . . . . 50.0 109.027 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -23.0 27.3 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.115 0.484 . . . . 50.0 111.271 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.6 t -80.84 -29.71 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 50.0 111.621 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -91.01 -23.49 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.811 -0.555 . . . . 50.0 111.91 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.6 m -91.71 24.21 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 122.284 1.04 . . . . 50.0 109.712 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -130.94 68.51 81.96 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.232 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.66 0.47 4.81 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 N-CA-C 114.743 1.017 . . . . 50.0 114.743 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -115.21 -4.03 12.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.028 0.831 . . . . 50.0 109.594 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 51.75 41.48 29.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.112 0.965 . . . . 50.0 112.863 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.87 -10.33 24.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.755 -1.112 . . . . 50.0 108.946 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.78 21.89 51.75 Favored Glycine 0 N--CA 1.458 0.127 0 CA-C-N 115.901 -0.591 . . . . 50.0 113.463 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.91 152.92 15.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.908 -0.405 . . . . 50.0 109.908 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.12 129.46 43.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.477 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -110.58 165.46 11.79 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.639 -0.709 . . . . 25.0 112.316 -177.602 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -49.84 -40.06 40.98 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 114.952 1.464 . . . . 50.0 114.952 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.477 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.6 OUTLIER -76.91 -15.98 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.599 . . . . 50.0 110.578 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -90.04 -37.25 14.41 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.157 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.432 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 65.2 m-85 -57.31 -32.22 66.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.374 0.606 . . . . 50.0 111.496 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 8.7 mm -59.94 -33.41 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.486 -0.779 . . . . 50.0 111.014 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.17 -46.06 53.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.02 -0.991 . . . . 50.0 111.056 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -74.65 -41.05 61.05 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.315 0.579 . . . . 50.0 110.221 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -34.02 58.64 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.59 0.959 . . . . 50.0 113.59 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.2 t -80.88 -19.71 43.86 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.337 -1.477 . . . . 50.0 110.603 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.76 -21.55 55.05 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.602 -0.272 . . . . 50.0 111.226 176.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.465 ' HB3' HE21 ' A' ' 856' ' ' GLN . 10.6 tt0 -58.86 -9.73 2.0 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.836 1.254 . . . . 50.0 112.923 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.4 p -70.91 1.36 5.67 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.288 -0.882 . . . . 25.0 112.72 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -112.97 152.26 29.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.93 -1.137 . . . . 25.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.2 158.62 27.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.092 0.473 . . . . 50.0 111.716 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.08 163.77 35.21 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.477 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -64.03 -34.61 78.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.486 1.136 . . . . 25.0 109.727 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 3.3 p -77.08 -13.41 59.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.717 -1.129 . . . . 25.0 112.39 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.87 -21.8 63.63 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.68 -33.56 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.911 0.862 . . . . 50.0 110.151 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -73.18 -40.61 64.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.868 -0.606 . . . . 50.0 112.541 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.6 p -77.17 -33.18 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.618 -0.433 . . . . 50.0 109.868 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 46.6 mtt -67.69 -6.07 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 50.0 112.015 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.19 64.33 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.928 -0.483 . . . . 25.0 110.971 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.5 p -60.33 -28.0 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.085 0.469 . . . . 50.0 111.337 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -66.86 -22.79 65.97 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.183 -0.323 . . . . 50.0 111.086 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -36.69 68.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.779 -1.193 . . . . 50.0 107.779 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.05 -43.18 89.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.179 -1.045 . . . . 50.0 108.179 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.61 -46.04 90.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 50.0 111.938 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.27 90.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.816 0.817 . . . . 25.0 109.367 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.58 -86.57 1.04 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.978 -0.629 . . . . 25.0 112.076 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.91 -19.6 10.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -73.78 155.22 39.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.197 0.522 . . . . 50.0 109.806 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -90.85 3.11 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.415 0.894 . . . . 50.0 113.415 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -148.31 161.21 41.99 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 105.488 -2.042 . . . . 50.0 105.488 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -113.04 150.69 15.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 106.682 -1.599 . . . . 50.0 106.682 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.1 p -89.16 150.37 22.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 105.68 -1.971 . . . . 25.0 105.68 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 56.2 mtt -54.12 -34.82 61.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.483 0.659 . . . . 50.0 110.093 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.76 -27.17 63.73 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.196 0.813 . . . . 50.0 113.196 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.35 -35.03 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.2 -37.79 75.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.818 -1.179 . . . . 50.0 107.818 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -80.18 28.85 0.29 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.266 -0.879 . . . . 50.0 109.532 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -121.8 -35.92 3.12 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 106.755 -1.572 . . . . 50.0 106.755 -176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.44 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -100.62 -21.71 15.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.086 -1.415 . . . . 75.0 108.683 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.44 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 9.6 mt -116.66 81.99 12.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -62.22 -25.69 77.06 Favored 'Trans proline' 0 CA--C 1.576 2.6 0 C-N-CA 113.907 -3.595 . . . . 25.0 117.249 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.15 -167.73 0.51 Allowed 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 117.005 1.887 . . . . 50.0 117.005 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.12 -20.56 26.5 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.278 -1.328 . . . . 50.0 112.218 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.465 HE21 ' HB3' ' A' ' 819' ' ' GLU . 0.6 OUTLIER -58.24 -35.06 71.16 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.268 -0.573 . . . . 50.0 111.336 179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.26 -51.3 69.91 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.464 0.649 . . . . 25.0 111.324 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . 0.434 ' H ' ' HG2' ' A' ' 858' ' ' GLU . 5.3 pt-20 -77.07 -32.05 56.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.727 -0.669 . . . . 50.0 112.087 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.96 74.71 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.5 -1.296 . . . . 50.0 107.5 171.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.71 -44.26 86.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 50.0 110.801 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 31.2 mt -58.21 -42.5 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.924 0.392 . . . . 50.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.1 71.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -97.27 -15.55 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.827 -0.545 . . . . 50.0 111.129 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.448 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 6.9 ttm -69.85 154.82 41.44 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.189 -0.319 . . . . 50.0 111.347 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.02 137.64 76.02 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.187 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.14 91.62 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 125.206 3.937 . . . . 50.0 112.912 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.659 1.218 . . . . 50.0 113.869 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.353 0 N-CA-C 112.5 -0.24 . . . . 50.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 136.32 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.6 mt -141.95 152.04 43.13 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.949 0.099 . . . . 50.0 110.996 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.31 107.15 18.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 121.598 0.713 . . . . 50.0 111.727 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -64.64 -34.98 79.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.489 -1.232 . . . . 50.0 111.703 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -95.92 -15.0 22.67 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.627 1.343 . . . . 50.0 114.627 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.4 t -114.32 20.21 15.68 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.681 -0.488 . . . . 50.0 109.681 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.6 p90 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 113.888 1.07 . . . . 50.0 113.888 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.926 0.393 . . . . 25.0 110.623 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.21 156.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.918 -0.583 . . . . 50.0 109.638 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.1 t -101.01 163.1 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.027 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.39 -33.4 75.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.906 -0.775 . . . . 50.0 108.906 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.18 -38.34 56.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.448 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.9 tp60 -59.82 -42.19 92.97 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.426 0.454 . . . . 50.0 110.755 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 748' ' ' MET . . . . . 0.418 ' HE2' HG22 ' A' ' 813' ' ' ILE . 6.8 ptp -73.2 -22.11 60.53 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.601 -0.888 . . . . 50.0 108.601 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -41.32 30.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.991 -0.284 . . . . 50.0 111.695 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.76 -35.0 45.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.157 -0.683 . . . . 50.0 109.157 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -70.8 -28.09 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.042 0.756 . . . . 50.0 113.042 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -19.96 64.93 Favored 'General case' 0 C--O 1.199 -1.589 0 O-C-N 121.24 -0.913 . . . . 50.0 109.087 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.27 61.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.766 0.712 . . . . 25.0 109.821 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -14.05 48.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.039 -0.413 . . . . 50.0 110.262 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -23.74 51.8 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.046 0.758 . . . . 50.0 113.046 173.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.28 -16.81 13.65 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.699 0.285 . . . . 50.0 111.631 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -63.99 -51.59 63.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.822 0.675 . . . . 50.0 112.822 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.09 0.92 30.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 50.0 111.556 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -56.99 103.91 0.13 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.835 0.826 . . . . 50.0 112.118 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.516 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 36.4 mtt180 -53.51 -38.46 63.74 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 114.206 -1.361 . . . . 50.0 114.37 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -118.99 3.98 11.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.353 0.408 . . . . 50.0 111.258 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 57.68 41.34 25.51 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 122.06 0.933 . . . . 25.0 113.289 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -13.75 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 50.0 110.819 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.43 15.01 57.8 Favored Glycine 0 C--O 1.228 -0.248 0 N-CA-C 107.735 -2.146 . . . . 50.0 107.735 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.7 p -155.94 138.16 14.72 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.23 129.45 35.8 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 108.255 -1.017 . . . . 50.0 108.255 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . 0.537 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.76 -168.34 43.49 Favored Glycine 0 C--O 1.198 -2.127 0 N-CA-C 109.6 -1.4 . . . . 50.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.71 -57.58 0.43 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 120.813 2.307 . . . . 50.0 115.26 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -68.65 -16.8 63.95 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.996 0.903 . . . . 50.0 109.894 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 4.8 mt-10 -88.53 -45.78 9.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.091 -0.959 . . . . 50.0 110.619 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -58.63 -41.44 86.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.934 0.894 . . . . 50.0 109.994 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -21.95 66.23 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.295 -0.412 . . . . 50.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.55 -35.63 20.97 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.68 -48.11 82.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.528 -0.916 . . . . 50.0 108.528 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.36 -18.74 18.83 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 116.773 2.138 . . . . 50.0 116.773 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.3 -38.66 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.235 -1.024 . . . . 50.0 108.235 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.6 m -76.95 -9.05 58.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.828 -0.624 . . . . 25.0 112.03 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.38 -9.41 22.26 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.855 -0.424 . . . . 50.0 109.855 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 79.2 41.98 12.86 Favored Glycine 0 C--O 1.225 -0.456 0 C-N-CA 118.601 -1.762 . . . . 25.0 111.242 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 163.87 0.8 Allowed 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 117.635 2.457 . . . . 50.0 117.635 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -99.45 17.92 19.1 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.565 0.698 . . . . 25.0 111.16 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.68 170.98 18.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.361 -0.836 . . . . 50.0 109.757 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -167.18 -164.9 23.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 106.924 -2.47 . . . . 50.0 106.924 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -87.92 55.21 3.37 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -114.04 153.38 46.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.089 -1.414 . . . . 50.0 107.548 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.06 -23.97 66.98 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.604 -1.131 . . . . 50.0 114.147 -175.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.04 -46.68 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.743 -0.466 . . . . 50.0 109.743 175.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.09 -29.88 73.63 Favored Glycine 0 C--O 1.212 -1.265 0 N-CA-C 116.002 1.161 . . . . 50.0 116.002 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.59 -28.33 69.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.933 1.366 . . . . 50.0 110.659 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.85 -42.89 48.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.72 -33.61 71.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.434 -0.803 . . . . 50.0 110.091 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -48.85 74.4 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 122.359 1.076 . . . . 50.0 109.913 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.95 66.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.835 -176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.57 -38.71 91.96 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 109.129 -0.693 . . . . 50.0 109.129 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.5 mt -76.26 -36.95 31.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -23.83 44.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 123.691 1.71 . . . . 50.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.7 t -82.13 -21.69 36.53 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 113.573 -1.649 . . . . 50.0 114.103 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.92 -24.95 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.458 0 CA-C-O 125.374 2.511 . . . . 50.0 107.183 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . 0.56 ' HA ' ' HB2' ' A' ' 811' ' ' ALA 0.295 0.5 OUTLIER -94.19 11.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 CA-C-N 110.995 -2.821 . . . . 75.0 111.351 -174.928 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -128.09 61.48 52.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 125.237 1.585 . . . . 25.0 107.711 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.05 -1.56 10.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 117.49 -1.207 . . . . 50.0 114.658 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.17 -3.87 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 57.15 39.57 28.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.99 0.916 . . . . 50.0 112.922 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.0 -7.28 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.883 -1.053 . . . . 50.0 108.659 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.44 21.14 65.09 Favored Glycine 0 C--O 1.235 0.16 0 C-N-CA 120.954 -0.641 . . . . 50.0 113.406 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.88 152.88 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.185 -1.043 . . . . 50.0 108.185 -178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . 0.405 HG12 ' CZ ' ' A' ' 812' ' ' PHE . 48.8 t -91.85 125.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 122.914 0.486 . . . . 50.0 111.829 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.458 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -104.38 167.25 9.87 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.494 0.664 . . . . 25.0 111.861 -179.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.529 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.7 OUTLIER -60.96 -30.44 70.25 Favored 'General case' 0 C--O 1.198 -1.606 0 N-CA-C 118.512 2.782 . . . . 50.0 118.512 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.458 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 1.2 pt20 -78.44 -14.99 59.12 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.769 -0.826 . . . . 50.0 108.769 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 799' ' ' VAL . . . -87.88 -62.49 1.48 Allowed 'General case' 0 C--O 1.198 -1.657 0 CA-C-N 114.956 -1.02 . . . . 25.0 110.7 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.529 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 69.2 m-85 -33.49 -35.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 116.186 1.921 . . . . 50.0 116.186 173.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.418 HG22 ' HE2' ' A' ' 748' ' ' MET . 19.8 mm -57.43 -35.3 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.629 0.771 . . . . 50.0 110.993 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -45.35 -51.98 10.45 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 121.74 0.781 . . . . 50.0 109.773 173.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -69.65 -43.68 72.09 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.455 0.645 . . . . 50.0 111.155 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -31.16 61.52 Favored 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 113.7 1.0 . . . . 50.0 113.7 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.7 t -82.71 -20.81 35.35 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.438 -1.413 . . . . 50.0 109.697 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -73.61 -21.51 60.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.607 -0.269 . . . . 50.0 110.481 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.426 ' HB3' HE21 ' A' ' 856' ' ' GLN . 0.9 OUTLIER -59.41 -14.3 11.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.354 1.062 . . . . 50.0 112.235 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 64.1 p -73.92 -3.56 29.71 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.925 -0.484 . . . . 25.0 111.443 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.2 132.07 48.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -65.55 141.69 58.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 50.0 110.726 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 3.7 m -140.13 157.04 46.25 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 122.493 1.139 . . . . 25.0 110.2 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -15.77 63.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.591 -1.186 . . . . 25.0 112.986 177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.8 65.98 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.344 -0.222 . . . . 25.0 111.452 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.5 -33.07 70.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.995 0.903 . . . . 50.0 110.027 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -69.69 -40.41 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 50.0 112.057 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.48 -32.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.467 -0.938 . . . . 50.0 108.467 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 40.5 mtm -61.79 -18.85 61.47 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 111.711 0.263 . . . . 50.0 111.711 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.84 -19.44 4.4 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 90.5 p -52.68 -30.39 31.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.944 0.498 . . . . 50.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -22.24 66.03 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.4 -0.813 . . . . 50.0 112.669 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -79.9 -34.79 38.77 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 120.978 -1.076 . . . . 50.0 108.592 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.29 -43.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.79 -46.45 89.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.692 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.2 92.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.873 0.844 . . . . 25.0 109.239 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.65 -91.31 0.96 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 25.0 110.802 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -115.08 -6.59 12.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -84.25 155.11 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.504 -0.747 . . . . 50.0 109.56 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.33 1.45 54.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.491 1.293 . . . . 50.0 114.491 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -146.76 161.28 40.95 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 106.08 -1.822 . . . . 50.0 106.08 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -113.34 151.2 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 106.381 -1.711 . . . . 50.0 106.381 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.6 p -91.61 150.86 20.97 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 105.649 -1.982 . . . . 25.0 105.649 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.6 mtt -55.56 -34.19 64.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.513 0.673 . . . . 50.0 109.215 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.41 -32.59 74.27 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.291 -0.868 . . . . 50.0 112.779 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.55 -39.0 74.22 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.862 -0.524 . . . . 50.0 110.482 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.33 -35.53 79.59 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.335 -0.987 . . . . 50.0 108.335 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -80.74 20.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 50.0 111.088 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -109.97 -42.36 4.24 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.743 -1.206 . . . . 50.0 107.743 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -90.96 -27.25 18.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.95 -1.023 . . . . 50.0 109.775 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 86.47 41.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 50.0 111.191 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.9 -23.24 68.44 Favored 'Trans proline' 0 CA--C 1.581 2.873 0 C-N-CA 113.876 -3.616 . . . . 25.0 117.732 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 33.1 Cg_endo -82.16 -164.61 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 116.891 1.843 . . . . 50.0 116.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.69 -28.89 50.89 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 113.996 1.109 . . . . 50.0 113.996 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 819' ' ' GLU . 10.6 mp0 -54.94 -31.24 60.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 122.065 -0.397 . . . . 75.0 110.925 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.39 -48.26 65.18 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.371 -0.831 . . . . 25.0 111.984 176.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.45 -34.73 76.48 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.34 -0.544 . . . . 50.0 110.772 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -51.75 67.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 50.0 109.499 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -44.09 95.27 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.282 -0.417 . . . . 50.0 110.575 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.1 mt -60.0 -42.51 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 122.734 0.414 . . . . 50.0 110.578 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.092 -0.504 . . . . 25.0 111.598 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -11.56 58.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.253 0.464 . . . . 50.0 112.253 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.417 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -77.09 150.54 35.65 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.434 0.531 . . . . 50.0 112.434 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.61 141.59 82.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.954 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.86 92.11 1.15 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 124.926 3.75 . . . . 50.0 116.007 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.691 0.758 . . . . 50.0 111.383 178.721 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 N-CA-C 108.606 -1.798 . . . . 50.0 108.606 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 139.48 48.49 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.546 0.738 . . . . 25.0 109.042 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.5 mt -142.04 153.21 44.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.151 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -89.88 106.57 18.56 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.731 0.777 . . . . 50.0 110.374 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -68.64 -35.72 77.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.331 -1.304 . . . . 50.0 112.324 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -90.81 -22.57 20.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.862 1.06 . . . . 50.0 113.862 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.7 t -108.78 20.47 18.45 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 50.0 110.238 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.0 p90 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 115.634 1.716 . . . . 50.0 115.634 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 120.462 0.172 . . . . 25.0 110.627 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.36 148.01 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.719 0.771 . . . . 50.0 110.565 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -93.3 157.04 16.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -30.82 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.105 -0.702 . . . . 50.0 109.105 177.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.72 -36.72 36.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.521 -0.472 . . . . 50.0 110.475 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -60.16 -38.33 82.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.537 0.684 . . . . 50.0 110.514 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.9 ptp -76.96 -21.61 54.49 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.246 -1.02 . . . . 50.0 108.246 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . 0.539 ' HA ' ' HD2' ' A' ' 752' ' ' ARG . 0.2 OUTLIER -82.67 -29.64 29.82 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.638 -0.664 . . . . 50.0 111.9 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.41 -33.37 25.74 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 105.706 -1.961 . . . . 50.0 105.706 174.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 31.5 t80 -81.83 -24.23 35.97 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.02 1.859 . . . . 50.0 116.02 -175.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . 0.539 ' HD2' ' HA ' ' A' ' 749' ' ' ASN . 0.0 OUTLIER -68.74 -16.97 63.97 Favored 'General case' 1 N--CA 1.363 -4.823 0 C-N-CA 115.544 -2.463 . . . . 75.0 111.373 179.459 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.48 63.73 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -59.4 -14.7 13.04 Favored 'General case' 0 C--N 1.255 -3.535 0 C-N-CA 125.271 1.428 . . . . 50.0 110.034 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 812' ' ' PHE . 2.5 p90 -56.47 -24.88 48.75 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 114.138 1.162 . . . . 50.0 114.138 171.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -6.92 12.97 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.205 0.941 . . . . 50.0 111.006 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.57 -55.34 5.61 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.132 -0.486 . . . . 50.0 112.081 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . 0.402 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 1.0 OUTLIER -104.08 1.09 30.5 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 119.724 -0.79 . . . . 50.0 112.173 -177.471 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . 0.416 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.9 t0 -47.05 102.53 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.953 1.358 . . . . 50.0 112.488 174.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.478 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 13.1 ttp180 -53.62 -35.79 61.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.65 -2.068 . . . . 50.0 113.771 -175.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.76 3.97 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 50.0 111.343 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 58.17 36.08 25.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 73.7 p -73.85 -6.77 49.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.027 0.531 . . . . 50.0 111.998 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.49 2.68 61.62 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 109.448 -1.461 . . . . 50.0 109.448 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.2 p -155.71 156.48 34.97 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.715 0.806 . . . . 25.0 109.543 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 759' ' ' ASP . 1.3 mm? -104.86 147.5 27.67 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.328 -0.949 . . . . 50.0 108.92 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . 0.481 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -88.65 -163.65 39.56 Favored Glycine 0 C--N 1.304 -1.203 0 N-CA-C 106.932 -2.467 . . . . 50.0 106.932 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.94 -55.85 0.24 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 CA-C-N 121.174 2.487 . . . . 50.0 112.609 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.47 -17.28 64.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.08 0.943 . . . . 50.0 110.569 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.7 mt-10 -88.75 -52.77 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 116.436 -1.745 . . . . 50.0 111.692 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.592 ' CG ' HG13 ' A' ' 807' ' ' VAL . 30.2 t80 -52.51 -37.78 58.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 123.023 2.647 . . . . 50.0 114.489 174.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -21.77 66.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.168 -1.049 . . . . 50.0 108.168 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.23 18.88 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 39.2 t -56.21 -48.66 76.0 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.562 1.172 . . . . 50.0 109.043 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 21.8 mt -60.98 -18.8 59.5 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.741 2.497 . . . . 50.0 117.741 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.34 -39.18 84.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.186 -1.042 . . . . 50.0 108.186 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.4 m -79.15 -4.64 51.44 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.332 -0.849 . . . . 25.0 111.792 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.9 -11.37 15.73 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 116.011 -0.54 . . . . 50.0 110.541 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . 0.407 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 86.25 50.9 3.69 Favored Glycine 0 C--O 1.22 -0.749 0 C-N-CA 118.681 -1.724 . . . . 25.0 113.092 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.41 159.92 25.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 118.366 2.728 . . . . 50.0 118.366 -179.706 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -89.49 10.13 23.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.784 0.834 . . . . 25.0 111.132 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.54 171.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.303 -0.862 . . . . 50.0 111.357 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.77 -163.16 12.34 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 105.997 -2.841 . . . . 50.0 105.997 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -84.72 10.14 12.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 117.636 0.718 . . . . 25.0 109.553 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.14 150.74 91.72 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.657 -0.701 . . . . 50.0 109.344 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.09 -22.92 61.35 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.702 -1.065 . . . . 50.0 113.424 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.67 -45.08 13.83 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.738 -0.838 . . . . 50.0 108.738 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.61 94.17 Favored Glycine 0 C--O 1.209 -1.433 0 C-N-CA 121.015 -0.612 . . . . 50.0 113.937 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.6 -25.78 66.78 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 118.407 1.104 . . . . 50.0 111.633 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.99 -40.51 46.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . 0.406 ' CD ' HH12 ' A' ' 794' ' ' ARG . 24.6 mm-40 -68.28 -38.27 81.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.854 -0.795 . . . . 50.0 108.854 178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . 0.425 ' HA ' HD13 ' A' ' 795' ' ' ILE . 0.2 OUTLIER -62.54 -40.87 98.2 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.2 73.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.428 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . 0.406 HH12 ' CD ' ' A' ' 791' ' ' GLU . 40.5 ttp-105 -62.33 -44.59 96.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.556 -0.905 . . . . 50.0 108.556 175.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 792' ' ' PHE . 10.9 mt -67.36 -38.01 80.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 N-CA-C 109.383 -0.599 . . . . 50.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -28.22 50.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.089 0.471 . . . . 50.0 110.384 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.0 t -81.0 -29.83 35.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.504 0.557 . . . . 50.0 112.504 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.1 pt -83.1 -25.0 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.595 0.634 . . . . 50.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.33 16.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-O 122.139 0.971 . . . . 50.0 109.389 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -119.45 53.43 2.33 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.491 175.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.07 -1.4 10.48 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 116.706 -1.73 . . . . 50.0 114.367 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -108.66 -2.11 18.97 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.273 -1.01 . . . . 50.0 108.273 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 57.42 40.68 27.18 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.171 1.174 . . . . 50.0 114.171 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -8.19 15.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.518 -1.219 . . . . 50.0 111.36 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.22 26.67 61.3 Favored Glycine 0 C--O 1.238 0.364 0 CA-C-N 116.069 -0.514 . . . . 50.0 112.949 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.07 154.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 121.967 -0.725 . . . . 50.0 111.588 -178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . 0.647 ' CG2' ' CZ ' ' A' ' 812' ' ' PHE . 2.3 m -87.36 127.85 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.089 -1.449 . . . . 75.0 107.089 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.559 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -111.76 173.72 6.22 Favored 'General case' 0 C--O 1.185 -2.303 0 O-C-N 124.942 1.401 . . . . 25.0 108.868 176.439 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -54.48 -37.67 65.51 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 114.133 -1.394 . . . . 50.0 112.46 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.559 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.1 OUTLIER -78.74 -14.86 59.05 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.885 -0.326 . . . . 50.0 110.724 177.37 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.68 -41.49 15.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 122.227 1.013 . . . . 25.0 109.58 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.647 ' CZ ' ' CG2' ' A' ' 807' ' ' VAL . 59.6 m-85 -51.39 -40.87 60.13 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.853 -1.067 . . . . 50.0 113.45 176.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 9.1 mm -62.51 -31.17 51.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.098 0.951 . . . . 50.0 111.427 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.31 -33.44 53.37 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.934 -1.03 . . . . 50.0 110.762 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -83.2 -48.38 10.56 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 120.706 0.289 . . . . 50.0 110.325 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -48.08 -34.67 9.99 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.557 2.058 . . . . 50.0 116.557 -177.519 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.9 t -75.15 -19.63 59.78 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 120.375 -1.453 . . . . 50.0 111.702 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -78.5 -18.15 55.21 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.828 0.451 . . . . 50.0 110.164 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.502 ' HB3' HE21 ' A' ' 856' ' ' GLN . 11.4 tp10 -49.67 -30.39 8.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 124.585 1.154 . . . . 50.0 112.243 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.5 p -68.12 4.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.1 -109.2 0.07 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 122.69 0.396 . . . . 25.0 111.544 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -157.76 142.46 16.48 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.344 -0.984 . . . . 50.0 108.344 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.18 145.85 16.86 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.44 -46.64 87.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.596 1.189 . . . . 25.0 111.524 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' THR . . . . . 0.407 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 13.7 p -72.03 -16.1 62.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.522 -1.217 . . . . 25.0 112.135 -177.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.92 -22.06 65.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.686 0.279 . . . . 25.0 111.5 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.5 -35.28 75.56 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.877 0.846 . . . . 50.0 110.415 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.7 -40.59 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.944 -0.473 . . . . 50.0 111.717 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.47 -29.21 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 108.254 -1.017 . . . . 50.0 108.254 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -19.01 64.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.832 0.679 . . . . 50.0 112.832 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.67 -19.35 1.53 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 78.0 p -54.14 -27.69 35.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.802 0.441 . . . . 50.0 112.117 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . 0.41 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -60.01 -23.01 63.32 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 178.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -77.06 -36.03 56.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.992 -1.067 . . . . 50.0 109.071 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.23 -42.56 91.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.45 -46.68 87.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.525 0.565 . . . . 50.0 112.525 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.52 -44.08 88.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.607 0.717 . . . . 25.0 109.305 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.01 -89.72 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.593 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -115.0 -11.69 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -79.76 155.31 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 50.0 111.54 -172.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.6 -0.91 52.52 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.878 1.436 . . . . 50.0 114.878 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -154.65 161.1 41.73 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 105.849 -1.908 . . . . 50.0 105.849 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 847' ' ' GLU . 4.4 tp -110.4 148.43 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.889 -1.523 . . . . 50.0 106.889 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.8 p -90.82 150.8 21.42 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.9 mtt -56.25 -30.1 61.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.798 0.332 . . . . 50.0 110.512 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -34.73 79.03 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 122.759 0.424 . . . . 50.0 111.971 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.4 ' HB2' HG13 ' A' ' 843' ' ' ILE . 16.8 mt-10 -71.07 -36.86 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.067 -0.396 . . . . 50.0 110.835 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.16 -41.3 86.25 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 107.405 -1.331 . . . . 50.0 107.405 176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.4 mtp-105 -80.64 32.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.623 0.769 . . . . 50.0 111.114 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -132.6 -33.36 1.24 Allowed 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.752 -1.573 . . . . 50.0 106.752 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.434 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -97.79 -21.51 16.91 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.621 -1.252 . . . . 50.0 107.621 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.434 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 12.4 mt -117.87 86.49 25.06 Favored Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.903 0.382 . . . . 50.0 110.682 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.86 -24.02 74.33 Favored 'Trans proline' 0 CA--C 1.576 2.593 0 C-N-CA 114.194 -3.404 . . . . 25.0 117.472 169.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.67 -167.88 0.47 Allowed 'Trans proline' 0 C--N 1.365 1.445 0 N-CA-C 116.876 1.837 . . . . 50.0 116.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.03 -16.33 6.96 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.718 1.377 . . . . 50.0 114.718 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.502 HE21 ' HB3' ' A' ' 819' ' ' GLU . 0.9 OUTLIER -60.02 -27.26 66.75 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.619 -0.832 . . . . 50.0 109.143 176.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.92 -48.17 77.66 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.864 -0.522 . . . . 25.0 111.607 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.78 -35.14 74.63 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.353 -0.539 . . . . 50.0 110.5 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -51.54 67.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.019 -0.734 . . . . 50.0 109.019 174.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.37 -43.87 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.393 -0.192 . . . . 50.0 111.298 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.55 -41.29 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.759 0.314 . . . . 50.0 110.254 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.98 79.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.36 -8.45 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.762 0.653 . . . . 50.0 112.762 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.476 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.7 ttm -81.05 153.19 27.51 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.39 -0.819 . . . . 50.0 112.279 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.9 139.55 73.48 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 120.443 -0.503 . . . . 25.0 110.941 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.58 92.1 1.04 Allowed 'Trans proline' 0 C--O 1.233 0.268 1 C-N-CA 125.341 4.027 . . . . 50.0 114.403 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.317 -0.813 0 CA-C-O 122.485 1.135 . . . . 50.0 113.313 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.472 0 N-CA-C 111.992 -0.443 . . . . 50.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 139.45 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.92 149.9 40.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.704 -0.226 . . . . 50.0 110.94 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -88.18 110.27 20.56 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 121.593 0.711 . . . . 50.0 110.567 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . 0.41 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 51.9 p90 -70.24 -36.7 74.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.508 -1.224 . . . . 50.0 111.456 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -91.01 -16.39 28.02 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.88 1.067 . . . . 50.0 113.88 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.1 t -114.3 21.14 14.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.476 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.4 p90 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 122.032 0.92 . . . . 50.0 113.112 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 121.081 0.467 . . . . 25.0 111.258 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.8 142.26 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 CA-C-O 121.686 0.755 . . . . 50.0 111.639 171.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 83.4 p -97.55 166.58 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.311 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -63.38 -33.65 76.0 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.867 -0.419 . . . . 50.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.95 -40.16 60.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.717 -0.219 . . . . 50.0 111.294 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.8 -40.83 94.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.036 0.446 . . . . 50.0 110.837 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.94 -22.19 58.73 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.198 -1.038 . . . . 50.0 108.198 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -39.19 53.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.679 -0.237 . . . . 50.0 111.114 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.76 -38.1 39.47 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.419 -0.912 . . . . 50.0 109.785 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 35.9 t80 -67.77 -27.55 66.85 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.701 -0.625 . . . . 50.0 112.626 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.72 -19.82 62.83 Favored 'General case' 0 C--O 1.2 -1.539 0 O-C-N 121.315 -0.865 . . . . 50.0 109.127 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.96 -22.07 63.19 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.454 1.025 . . . . 25.0 110.24 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -16.42 52.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.998 0.427 . . . . 50.0 110.171 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -23.72 43.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.198 0.814 . . . . 50.0 113.198 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.37 -15.61 13.54 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 111.723 0.268 . . . . 50.0 111.723 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -66.04 -49.49 67.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.265 0.839 . . . . 50.0 113.265 -173.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . 0.406 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.04 1.16 30.68 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.498 -0.319 . . . . 50.0 111.195 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -56.85 103.29 0.11 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.843 0.83 . . . . 50.0 112.04 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.54 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 88.0 mtt-85 -57.55 -35.97 71.02 Favored 'General case' 0 CA--C 1.478 -1.796 0 CA-C-N 114.605 -1.179 . . . . 50.0 113.796 -173.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -115.59 5.57 14.39 Favored 'General case' 0 N--CA 1.439 -0.99 0 O-C-N 123.9 0.75 . . . . 50.0 110.614 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.2 p80 51.64 32.19 8.86 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 76.8 p -66.24 -12.91 59.14 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.038 0.755 . . . . 50.0 113.038 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.18 14.99 55.21 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 108.132 -1.987 . . . . 50.0 108.132 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -157.0 136.33 12.07 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.18 130.39 35.07 Favored 'General case' 0 C--O 1.184 -2.347 0 N-CA-C 107.487 -1.301 . . . . 50.0 107.487 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . 0.467 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -82.56 -170.46 45.47 Favored Glycine 0 C--O 1.195 -2.316 0 N-CA-C 109.077 -1.609 . . . . 50.0 109.077 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.54 -57.18 0.61 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 CA-C-N 120.884 2.342 . . . . 50.0 115.25 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -70.74 -16.36 62.76 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.212 1.006 . . . . 50.0 109.433 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.54 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.1 mt-10 -84.82 -47.66 10.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.386 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -58.4 -42.03 86.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 124.356 1.063 . . . . 50.0 111.922 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -22.13 65.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.774 -0.648 . . . . 50.0 109.928 -178.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.64 -32.69 21.89 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . 0.406 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 42.3 t -62.82 -45.05 94.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.177 0.989 . . . . 50.0 108.613 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.69 -18.83 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 116.24 1.941 . . . . 50.0 116.24 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.33 -40.97 89.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.4 m -79.06 -4.23 49.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.725 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.33 -5.44 19.07 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.359 -0.382 . . . . 50.0 110.234 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.84 51.76 4.39 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 118.545 -1.788 . . . . 25.0 112.171 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.96 164.12 22.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 116.93 2.196 . . . . 50.0 116.93 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -98.02 7.89 45.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.694 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.82 -178.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.536 -0.756 . . . . 50.0 111.087 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 785' ' ' ASP . . . -175.54 -165.61 31.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 104.087 -3.605 . . . . 50.0 104.087 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -85.84 25.7 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.736 1.268 . . . . 25.0 109.614 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 783' ' ' GLY . 6.3 m-20 -76.18 155.16 84.39 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.753 -1.112 . . . . 50.0 108.973 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -64.68 -26.2 61.12 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.131 -1.446 . . . . 50.0 114.016 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -82.13 -44.7 16.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.296 0.569 . . . . 50.0 109.729 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -71.12 -28.75 69.74 Favored Glycine 0 C--O 1.206 -1.598 0 N-CA-C 116.714 1.445 . . . . 50.0 116.714 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.03 -29.14 70.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 119.25 1.525 . . . . 50.0 110.38 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.27 60.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.798 0.809 . . . . 25.0 109.033 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -73.25 -34.04 65.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.055 -0.975 . . . . 50.0 109.754 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -46.69 82.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.669 -0.863 . . . . 50.0 108.669 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.65 71.25 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.437 -0.347 . . . . 25.0 111.529 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.81 -38.44 91.1 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 8.4 mt -78.13 -37.33 22.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 106.458 -1.682 . . . . 50.0 106.458 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -23.28 37.81 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 124.295 1.998 . . . . 50.0 111.135 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 11.2 t -81.25 -21.44 39.45 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 112.934 -1.939 . . . . 50.0 113.014 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.4 pt -93.98 -23.79 5.2 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 121.747 2.067 . . . . 50.0 108.23 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . 0.439 ' HA ' ' CB ' ' A' ' 811' ' ' ALA 0.338 0.3 OUTLIER -94.94 15.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 110.028 -3.26 . . . . 75.0 110.374 -173.622 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.82 62.65 65.4 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.46 -1.245 . . . . 25.0 108.983 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.9 -2.38 11.4 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 114.792 1.035 . . . . 50.0 114.792 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -107.97 -3.9 18.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.675 -0.861 . . . . 50.0 108.675 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 55.26 40.84 31.71 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.085 0.954 . . . . 50.0 112.874 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.02 -6.57 22.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.655 -1.157 . . . . 50.0 109.319 177.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.39 19.27 66.87 Favored Glycine 0 CA--C 1.512 -0.129 0 C-N-CA 120.9 -0.666 . . . . 50.0 113.209 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.92 154.27 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.936 -1.505 . . . . 50.0 106.936 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . 0.406 HG11 ' CZ ' ' A' ' 812' ' ' PHE . 57.7 t -92.74 126.69 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 123.184 0.594 . . . . 50.0 111.569 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.06 167.77 9.67 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-O 121.722 0.772 . . . . 25.0 111.99 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.525 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -62.57 -29.61 70.71 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 118.888 2.922 . . . . 50.0 118.888 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -79.36 -15.27 58.16 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.746 -1.205 . . . . 50.0 107.746 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 799' ' ' VAL . . . -85.79 -62.35 1.55 Allowed 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.139 -175.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.0 m-85 -33.65 -35.71 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.946 1.832 . . . . 50.0 115.946 173.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 23.5 mm -58.93 -33.39 49.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.301 0.64 . . . . 50.0 111.238 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.69 -39.66 62.18 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.861 -1.063 . . . . 50.0 109.172 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.25 -46.82 21.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.704 0.684 . . . . 50.0 110.266 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.41 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.67 -31.51 47.95 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 115.181 1.549 . . . . 50.0 115.181 -176.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.8 -19.82 60.04 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.136 -1.603 . . . . 50.0 111.426 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -73.98 -19.32 60.7 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.479 -0.782 . . . . 50.0 110.306 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.512 ' HB3' HE22 ' A' ' 856' ' ' GLN . 10.6 tp10 -49.68 -32.24 12.84 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.283 0.989 . . . . 50.0 111.925 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.8 p -63.75 -2.64 1.86 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.654 1.354 . . . . 25.0 114.654 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -86.97 -145.63 0.12 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.457 ' HB2' HH22 ' A' ' 863' ' ' ARG . 21.7 t0 -128.81 136.39 50.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 50.0 109.868 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.36 147.79 33.89 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.18 -38.69 88.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.586 1.184 . . . . 25.0 109.966 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.1 p -75.16 -12.84 60.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.537 -1.21 . . . . 25.0 112.475 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.94 -23.25 65.14 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.81 -36.08 73.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.93 0.871 . . . . 50.0 110.076 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.58 -39.85 80.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 50.0 112.152 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.64 -34.96 30.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 44.6 mtt -69.94 -10.85 60.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.112 0.782 . . . . 50.0 113.112 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.31 58.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.86 -0.525 . . . . 25.0 110.875 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.1 m -59.29 -26.45 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.2 -23.19 67.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.98 -0.45 . . . . 50.0 111.645 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.77 -36.23 75.59 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.473 -0.767 . . . . 50.0 109.173 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.61 -40.94 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.036 -1.468 . . . . 50.0 107.036 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -45.48 94.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 50.0 110.955 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.93 87.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.86 0.838 . . . . 25.0 110.546 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 89.72 -107.07 3.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 105.347 -3.101 . . . . 25.0 105.347 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -118.63 2.99 11.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.582 1.191 . . . . 25.0 113.73 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -76.66 148.64 36.74 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.679 -1.6 . . . . 50.0 106.679 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.03 -7.08 53.84 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.78 1.4 . . . . 50.0 114.78 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -140.0 163.07 33.67 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.328 -1.36 . . . . 50.0 107.328 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.6 tp -115.79 149.0 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 104.953 -2.24 . . . . 50.0 104.953 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.5 p -86.69 152.51 22.49 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.5 mtt -53.75 -35.6 61.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.489 0.661 . . . . 50.0 109.567 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.17 -29.15 63.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.672 0.99 . . . . 50.0 113.672 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.402 ' HB2' HG13 ' A' ' 843' ' ' ILE . 12.7 mt-10 -68.51 -39.18 81.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.745 -0.835 . . . . 50.0 108.745 176.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 850' ' ' ARG . 82.8 mt -65.88 -38.82 89.79 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 175.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.45 27.95 0.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.214 0.606 . . . . 50.0 110.622 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 848' ' ' LEU . 26.4 tpt180 -127.83 -35.13 2.11 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.458 -1.312 . . . . 50.0 107.458 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.43 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.2 pt-20 -96.42 -23.75 16.45 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.704 -1.221 . . . . 50.0 107.704 176.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.3 mt -116.63 84.65 15.5 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 122.627 0.371 . . . . 50.0 110.831 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.76 -24.21 74.59 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 C-N-CA 114.788 -3.008 . . . . 25.0 116.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.85 -171.17 1.11 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 116.167 -2.089 . . . . 50.0 116.317 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -58.9 -15.57 13.39 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 114.727 -1.124 . . . . 50.0 112.578 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.512 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.1 mm-40 -52.04 -34.96 45.67 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.267 -0.642 . . . . 50.0 109.267 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.1 -54.69 41.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.911 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -69.23 -33.91 74.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -52.54 64.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.419 -0.956 . . . . 50.0 108.419 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -64.56 -42.02 95.94 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.234 -0.439 . . . . 50.0 110.399 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.3 mt -58.32 -42.23 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.01 0.524 . . . . 50.0 110.476 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.26 -31.5 72.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 822' ' ' ASP . 0.0 OUTLIER -95.23 -10.09 31.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.709 0.766 . . . . 50.0 113.006 -178.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.45 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.7 ttm -76.95 159.5 29.92 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.234 0.827 . . . . 50.0 113.234 -176.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -69.87 131.0 89.54 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.089 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.78 88.29 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 124.011 3.141 . . . . 50.0 115.507 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 108.419 -0.956 . . . . 50.0 108.419 178.077 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.829 0 CA-C-O 119.33 -0.705 . . . . 50.0 112.265 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 134.88 54.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.05 146.11 35.11 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.231 0.456 . . . . 50.0 112.231 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -82.24 111.81 18.66 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.146 -0.621 . . . . 50.0 110.459 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -68.35 -35.68 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.29 -0.868 . . . . 50.0 112.299 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -94.06 -24.96 17.39 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 113.84 1.052 . . . . 50.0 113.84 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.4 t -98.25 15.72 23.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.395 -0.594 . . . . 50.0 109.395 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.1 p90 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 114.98 -1.009 . . . . 50.0 112.894 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.543 0.702 0 N-CA-C 118.966 2.951 . . . . 25.0 118.966 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.14 153.78 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 113.715 -1.584 . . . . 50.0 113.61 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.8 t -96.35 158.53 15.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -27.89 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 50.0 109.861 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -81.15 -38.33 27.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.437 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 42.1 tp60 -60.96 -40.8 94.76 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.953 -0.567 . . . . 50.0 110.861 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.8 ptp -73.81 -21.0 60.29 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.966 -0.753 . . . . 50.0 108.966 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -44.24 25.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.948 -0.301 . . . . 50.0 110.266 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.13 -36.91 58.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 50.0 109.291 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -70.87 -24.43 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.696 -0.628 . . . . 50.0 112.59 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.28 -21.35 66.19 Favored 'General case' 0 C--O 1.198 -1.635 0 O-C-N 121.098 -1.001 . . . . 50.0 108.73 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.71 -22.5 64.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.069 0.849 . . . . 25.0 110.185 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -15.2 56.58 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.111 -0.368 . . . . 50.0 110.542 177.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -23.09 49.69 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.12 0.785 . . . . 50.0 113.12 174.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -115.6 -14.71 11.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.643 0.259 . . . . 50.0 111.588 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.85 -51.66 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.9 3.05 33.28 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 120.737 0.303 . . . . 50.0 110.639 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -57.07 104.51 0.16 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.299 1.047 . . . . 50.0 112.118 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.519 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 41.9 ttt180 -50.15 -35.86 27.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 112.953 -1.931 . . . . 50.0 112.976 -176.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -123.5 1.98 8.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.956 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.0 t60 61.47 29.65 18.49 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 50.5 p -70.33 -9.78 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.526 0.936 . . . . 50.0 113.526 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.04 19.39 59.31 Favored Glycine 0 CA--C 1.511 -0.2 0 N-CA-C 107.611 -2.195 . . . . 50.0 107.611 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -155.7 136.25 13.31 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.942 -1.129 . . . . 25.0 109.584 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.27 126.15 45.04 Favored 'General case' 0 C--O 1.201 -1.468 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . 0.441 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -81.26 -167.43 38.24 Favored Glycine 0 C--O 1.199 -2.062 0 N-CA-C 109.594 -1.402 . . . . 50.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -62.87 -57.39 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.554 0 CA-C-N 120.633 2.217 . . . . 50.0 113.943 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.73 -17.35 64.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.562 0.696 . . . . 50.0 110.875 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.519 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.0 mt-10 -88.62 -45.83 9.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.701 -0.681 . . . . 50.0 110.087 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.45 -40.64 87.48 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.575 0.75 . . . . 50.0 110.53 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -22.77 66.33 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.849 -0.614 . . . . 50.0 110.251 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.49 -36.08 20.78 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.84 -48.33 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.27 -18.91 41.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 116.392 1.997 . . . . 50.0 116.392 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.25 -39.06 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.662 -0.866 . . . . 50.0 108.662 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 43.3 m -76.05 -8.54 57.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.88 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.01 -19.82 15.67 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 116.398 -0.365 . . . . 50.0 110.517 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.85 3.7 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 118.862 -1.637 . . . . 25.0 110.972 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.97 164.03 4.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.436 2.013 . . . . 50.0 116.436 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . 0.406 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 44.1 p-10 -96.56 17.67 15.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.861 0.838 . . . . 25.0 110.541 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.89 -177.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.767 -1.106 . . . . 50.0 109.65 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.33 20.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 104.863 -3.295 . . . . 50.0 104.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -91.91 22.45 4.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.27 1.035 . . . . 25.0 108.207 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.55 152.26 87.44 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 107.906 -1.146 . . . . 50.0 107.906 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.27 -25.41 64.59 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 117.948 -0.901 . . . . 50.0 113.854 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.82 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.13 -0.693 . . . . 50.0 109.13 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.56 84.61 Favored Glycine 0 C--O 1.206 -1.638 0 C-N-CA 120.69 -0.767 . . . . 50.0 114.766 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.99 -27.71 68.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.084 1.442 . . . . 50.0 111.211 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.36 -41.22 48.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.18 -36.01 76.89 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.429 -0.805 . . . . 50.0 109.967 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.49 -44.89 92.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.228 -1.027 . . . . 50.0 108.228 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.87 74.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.842 -0.343 . . . . 25.0 111.274 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -62.13 -39.23 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.18 -42.58 58.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.125 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -24.91 40.78 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.16 0.505 . . . . 50.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 29.4 t -81.58 -18.47 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 50.0 112.162 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -102.02 -23.4 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.736 1.013 . . . . 50.0 113.736 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.2 23.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 50.0 112.141 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.31 64.14 26.5 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 122.067 0.937 . . . . 25.0 108.985 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 -4.29 8.13 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.507 1.472 . . . . 50.0 115.275 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.73 -0.94 23.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.194 -1.41 . . . . 50.0 107.194 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 54.22 42.51 31.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.81 1.244 . . . . 50.0 113.938 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.16 -6.66 19.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.64 -1.618 . . . . 50.0 110.819 177.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.93 66.41 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.843 -0.694 . . . . 50.0 113.726 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.39 153.55 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.842 -1.17 . . . . 50.0 107.842 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 45.1 t -89.87 125.68 42.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 N-CA-C 110.385 -0.228 . . . . 50.0 110.385 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 4.6 p -103.77 168.65 9.0 Favored 'General case' 0 CA--C 1.494 -1.189 0 O-C-N 124.16 0.912 . . . . 25.0 111.791 -177.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 7.1 p90 -50.62 -47.31 58.36 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 115.86 1.8 . . . . 75.0 115.86 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -16.42 63.14 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 115.249 -0.887 . . . . 50.0 110.736 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.28 -37.95 16.72 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 114.993 -1.003 . . . . 25.0 110.616 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 59.1 m-85 -57.54 -33.58 68.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.747 -0.66 . . . . 50.0 111.949 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 8.8 mm -60.41 -32.98 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.428 -0.806 . . . . 50.0 111.766 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.93 -49.53 29.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.059 -0.973 . . . . 50.0 110.263 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.406 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.1 t80 -73.78 -42.07 61.54 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-O 121.705 0.764 . . . . 50.0 110.66 177.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -27.85 53.35 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 23.9 t -85.87 -19.67 30.23 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.544 -1.347 . . . . 50.0 111.318 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.5 -22.25 64.54 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.114 0.483 . . . . 50.0 109.986 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.563 ' HB3' HE21 ' A' ' 856' ' ' GLN . 17.4 tp10 -54.73 -15.84 2.13 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.884 1.674 . . . . 50.0 114.264 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 34.5 p -70.39 1.61 4.8 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.739 -0.601 . . . . 25.0 112.483 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -122.67 154.23 38.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -79.8 163.85 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.067 0.765 . . . . 50.0 113.067 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.15 163.85 31.86 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.38 -37.92 89.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.201 1.0 . . . . 25.0 110.024 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 17.1 p -72.48 -14.92 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.269 -0.878 . . . . 25.0 111.879 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.23 -26.85 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.059 0.225 . . . . 25.0 111.373 -176.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.02 -28.86 66.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 50.0 111.437 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -84.41 -42.21 15.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.775 -0.578 . . . . 50.0 111.97 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.0 p -76.02 -29.7 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.561 -0.456 . . . . 50.0 111.283 -174.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.68 -13.53 54.58 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.922 -0.486 . . . . 50.0 111.205 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.02 -26.09 65.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.1 p -62.96 -26.32 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 50.0 111.794 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.67 -24.69 67.76 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 122.092 -0.38 . . . . 75.0 110.658 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -71.92 -36.07 69.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.402 -0.811 . . . . 50.0 109.223 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.82 -40.64 76.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.273 -1.38 . . . . 50.0 107.273 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -40.06 94.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 50.0 110.026 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.43 66.0 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.431 1.11 . . . . 25.0 111.597 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.39 -83.05 1.12 Allowed Glycine 0 C--O 1.185 -2.937 0 CA-C-O 122.369 0.983 . . . . 25.0 113.624 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -114.6 -28.46 7.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.681 -1.259 . . . . 25.0 112.663 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . 0.445 ' HZ1' ' CD ' ' A' ' 847' ' ' GLU . 7.0 pttt -84.7 165.73 17.63 Favored 'General case' 0 N--CA 1.422 -1.842 0 N-CA-C 113.89 1.07 . . . . 75.0 113.89 -169.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -91.73 1.86 56.88 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 124.355 1.062 . . . . 50.0 112.94 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -136.42 163.38 30.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 105.733 -1.951 . . . . 50.0 105.733 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -120.74 150.86 23.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 105.242 -2.132 . . . . 50.0 105.242 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.3 p -92.6 153.48 18.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.8 mtt -55.55 -32.74 63.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 120.998 0.428 . . . . 50.0 110.152 173.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.7 -37.03 84.85 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 123.338 0.655 . . . . 50.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.445 ' CD ' ' HZ1' ' A' ' 840' ' ' LYS . 4.3 mt-10 -68.81 -37.43 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.672 0.273 . . . . 50.0 111.355 -178.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.48 -36.6 73.95 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.27 -1.011 . . . . 50.0 108.27 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -81.42 30.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.97 -0.559 . . . . 50.0 110.551 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -132.62 -40.37 0.97 Allowed 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.403 -1.332 . . . . 50.0 107.403 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.443 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 20.9 pt-20 -91.94 -20.74 21.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.884 -1.053 . . . . 75.0 109.405 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.443 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 7.6 mt -122.26 87.58 48.24 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 122.791 0.436 . . . . 50.0 111.2 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.54 -25.68 79.77 Favored 'Trans proline' 0 CA--C 1.578 2.685 0 C-N-CA 114.345 -3.303 . . . . 25.0 118.258 171.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 57.8 Cg_endo -79.77 -169.3 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 118.226 2.356 . . . . 50.0 118.226 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.5 -21.63 6.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.596 -1.638 . . . . 50.0 112.459 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.563 HE21 ' HB3' ' A' ' 819' ' ' GLU . 41.6 mt-30 -56.71 -36.61 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.246 -0.284 . . . . 50.0 110.72 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.133 0.492 . . . . 25.0 111.308 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.41 -31.76 60.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.605 0.595 . . . . 50.0 112.605 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -50.18 71.33 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.184 -1.043 . . . . 50.0 108.184 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 85.8 m -63.07 -45.07 93.88 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.35 -0.386 . . . . 50.0 110.114 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.2 mt -59.0 -41.65 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.957 0.408 . . . . 50.0 110.916 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.44 91.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.748 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -12.24 46.03 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.28 0.474 . . . . 50.0 112.28 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.422 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -75.14 153.13 38.39 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.934 -0.479 . . . . 50.0 110.946 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -69.33 134.83 88.93 Favored Pre-proline 0 C--O 1.222 -0.392 0 C-N-CA 120.512 -0.475 . . . . 25.0 110.395 -175.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.12 92.63 1.05 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.811 2.341 . . . . 50.0 114.206 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.914 0.864 . . . . 50.0 108.742 178.706 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.791 0 N-CA-C 111.001 -0.839 . . . . 50.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 140.25 47.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 5.8 mt -141.94 152.06 43.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 50.0 111.622 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -89.35 108.32 19.57 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 50.0 109.947 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -65.05 -39.27 93.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.405 -1.271 . . . . 50.0 110.696 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -89.04 -30.47 18.68 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.773 1.397 . . . . 50.0 114.773 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.4 t -97.56 19.03 14.12 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.923 -0.485 . . . . 50.0 111.088 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.422 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 5.9 p90 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 116.067 1.877 . . . . 50.0 116.067 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 116.895 2.183 . . . . 25.0 116.895 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.01 150.64 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.1 t -97.51 158.68 15.36 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.863 0.465 . . . . 25.0 110.689 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.51 69.04 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.014 -0.539 . . . . 50.0 109.923 176.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.11 -37.68 33.14 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.286 -0.259 . . . . 50.0 110.562 177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.185 0.517 . . . . 50.0 110.559 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.6 ptp -72.32 -21.06 61.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -39.2 23.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.503 -0.317 . . . . 50.0 110.91 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.4 -38.98 59.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 35.2 t80 -68.98 -28.69 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.673 0.99 . . . . 50.0 113.673 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -19.67 60.7 Favored 'General case' 0 C--O 1.197 -1.688 0 O-C-N 121.231 -0.918 . . . . 50.0 109.797 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.54 -22.27 65.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.073 0.852 . . . . 25.0 110.325 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.6 t -63.93 -14.82 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.848 -0.533 . . . . 50.0 110.485 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -22.9 43.97 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.921 0.712 . . . . 50.0 112.921 173.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.96 -17.36 12.9 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 111.918 0.34 . . . . 50.0 111.918 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -62.85 -53.65 50.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.277 0.843 . . . . 50.0 113.277 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.05 3.02 32.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.156 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.67 104.42 0.15 Allowed 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 122.711 1.244 . . . . 50.0 112.327 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.469 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 41.6 ttt180 -55.43 -30.17 59.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.775 -2.011 . . . . 50.0 113.389 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.52 3.6 7.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 57.38 38.43 28.38 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.981 0.896 . . . . 25.0 112.947 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.4 p -78.71 -8.39 58.66 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.84 -0.537 . . . . 50.0 112.314 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.64 63.02 Favored Glycine 0 C--O 1.23 -0.132 0 N-CA-C 107.928 -2.069 . . . . 50.0 107.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.58 136.32 12.49 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 114.102 -1.049 . . . . 25.0 109.996 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.26 125.03 43.17 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . 0.449 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -80.91 -169.29 41.09 Favored Glycine 0 C--O 1.191 -2.593 0 N-CA-C 109.234 -1.547 . . . . 50.0 109.234 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -59.85 -59.81 0.36 Allowed 'Trans proline' 0 C--N 1.329 -0.467 0 CA-C-N 121.504 2.652 . . . . 50.0 114.016 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.45 -16.82 64.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 50.0 110.955 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.469 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 9.8 mt-10 -89.62 -45.59 9.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 120.109 -0.636 . . . . 50.0 110.018 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -59.14 -39.43 82.37 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 124.24 1.016 . . . . 50.0 110.961 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -23.15 65.83 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.936 -0.575 . . . . 50.0 110.438 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.58 -34.13 21.53 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.1 -46.8 89.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.724 0.773 . . . . 50.0 109.372 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.37 -18.83 60.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 116.451 2.019 . . . . 50.0 116.451 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.55 -38.28 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.527 -0.916 . . . . 50.0 108.527 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -73.74 -7.8 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.649 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.2 -5.58 15.88 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 123.371 0.42 . . . . 50.0 110.342 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 75.25 44.87 21.32 Favored Glycine 0 C--O 1.221 -0.658 0 C-N-CA 118.294 -1.907 . . . . 25.0 111.515 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.07 162.72 0.26 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 120.866 3.654 . . . . 50.0 120.866 -178.306 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . 0.509 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.0 t0 -85.0 9.98 13.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.008 1.723 . . . . 25.0 110.643 -175.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.0 169.84 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.247 -0.888 . . . . 50.0 108.663 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.4 -168.12 17.37 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 107.982 -2.047 . . . . 50.0 107.982 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.33 48.45 1.4 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -109.51 153.79 42.66 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.886 -1.052 . . . . 50.0 109.142 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.21 -25.52 57.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 116.859 -1.627 . . . . 50.0 112.926 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.31 -43.25 19.38 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.801 -0.36 . . . . 50.0 110.519 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.45 -31.51 68.35 Favored Glycine 0 C--O 1.213 -1.161 0 C-N-CA 120.141 -1.028 . . . . 50.0 114.24 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.4 -27.47 68.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.118 0.959 . . . . 50.0 109.778 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.84 -40.45 47.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -70.85 -36.0 72.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.294 -0.866 . . . . 50.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -49.25 72.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.89 -1.152 . . . . 50.0 107.89 174.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.82 74.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.109 0.481 . . . . 25.0 111.637 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.77 -41.81 98.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.205 -0.665 . . . . 50.0 109.205 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.4 mt -71.77 -41.66 70.29 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -27.53 31.43 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.168 0.508 . . . . 50.0 110.937 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.59 -32.33 53.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.883 -0.599 . . . . 50.0 111.907 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.8 pt -85.57 -23.48 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.691 -0.631 . . . . 50.0 111.946 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.42 24.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.974 0.893 . . . . 50.0 110.56 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -124.62 62.86 34.87 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 121.909 0.861 . . . . 25.0 110.373 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.0 -0.22 6.79 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 N-CA-C 115.068 1.142 . . . . 50.0 115.068 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -2.76 14.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.594 -0.891 . . . . 50.0 108.594 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 37.9 25.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.11 0.964 . . . . 50.0 112.789 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.33 -7.23 18.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.687 -0.688 . . . . 50.0 111.572 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.19 62.31 Favored Glycine 0 C--N 1.323 -0.147 0 C-N-CA 121.204 -0.522 . . . . 50.0 113.407 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.83 152.19 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.89 128.43 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 50.0 109.436 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.526 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -109.6 166.93 10.52 Favored 'General case' 0 C--O 1.206 -1.208 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 -177.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -48.49 -42.42 32.76 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 114.881 1.438 . . . . 50.0 114.881 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.526 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.4 OUTLIER -76.38 -15.46 59.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.441 0.639 . . . . 50.0 110.55 -178.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -90.19 -37.02 14.44 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.26 -0.882 . . . . 25.0 111.457 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.447 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 68.5 m-85 -58.17 -31.81 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 50.0 111.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.3 mm -61.53 -31.97 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.52 0.676 . . . . 50.0 111.363 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -50.95 -45.22 60.63 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.105 -0.952 . . . . 50.0 109.578 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.509 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.2 t80 -74.01 -43.18 58.88 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 121.545 0.688 . . . . 50.0 110.743 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.61 58.65 Favored 'General case' 0 C--O 1.207 -1.138 0 N-CA-C 114.221 1.193 . . . . 50.0 114.221 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 28.2 t -85.86 -19.85 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 120.153 -1.592 . . . . 50.0 110.911 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.08 -27.82 61.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.858 -0.794 . . . . 50.0 108.858 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.513 ' HB3' HE22 ' A' ' 856' ' ' GLN . 4.8 tt0 -57.4 -16.39 9.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.611 1.564 . . . . 50.0 113.789 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 55.2 p -71.07 -4.31 24.39 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.76 -0.587 . . . . 25.0 111.88 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.54 146.25 24.23 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.32 139.13 54.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.541 -0.299 . . . . 50.0 110.202 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.86 152.75 40.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.57 -47.16 79.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.416 1.103 . . . . 25.0 110.499 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -15.78 63.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.532 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.16 65.77 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 111.836 0.309 . . . . 25.0 111.836 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -57.02 -36.34 70.33 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.105 0.955 . . . . 50.0 109.947 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.06 -38.88 86.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.323 -0.853 . . . . 50.0 112.222 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.63 -36.07 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.831 -0.803 . . . . 50.0 108.831 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 92.6 mtp -68.03 -14.76 63.22 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.434 -0.348 . . . . 50.0 111.513 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.88 -19.4 1.73 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 112.463 0.542 . . . . 25.0 112.463 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 81.3 p -53.34 -28.24 27.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.152 0.581 . . . . 50.0 112.244 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -24.1 64.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.632 0.651 . . . . 50.0 112.312 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -77.78 -36.02 50.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 121.118 -0.989 . . . . 50.0 108.835 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.08 -43.32 85.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.98 . . . . 50.0 108.355 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.76 -46.19 89.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.191 0.441 . . . . 50.0 112.191 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.8 94.25 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.0 -96.84 1.6 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 108.388 -1.885 . . . . 25.0 108.388 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.17 1.71 11.37 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -81.21 155.07 26.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.791 -1.188 . . . . 50.0 107.791 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -87.72 2.36 51.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.977 1.473 . . . . 50.0 114.977 -175.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -148.77 161.77 41.12 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 105.773 -1.936 . . . . 50.0 105.773 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.4 tp -114.15 153.62 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 68.9 p -92.82 151.36 20.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.4 mtt -57.13 -32.61 66.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.358 0.599 . . . . 50.0 109.472 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.85 -33.38 75.49 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.575 -0.739 . . . . 50.0 112.453 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.09 -40.46 78.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.881 -0.414 . . . . 50.0 109.881 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.25 -40.24 90.06 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -76.12 13.8 0.83 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.014 -0.539 . . . . 50.0 112.401 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -111.04 -36.47 5.63 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.97 -29.96 21.64 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.703 -0.851 . . . . 75.0 108.703 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.23 93.12 48.81 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 50.0 110.811 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.88 -21.67 63.96 Favored 'Trans proline' 0 CA--C 1.579 2.757 0 C-N-CA 114.441 -3.239 . . . . 25.0 118.144 169.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -84.61 -165.45 0.3 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 N-CA-C 117.365 2.025 . . . . 50.0 117.365 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.56 -26.45 5.28 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.8 1.64 . . . . 50.0 112.446 174.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.513 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.0 mm-40 -54.96 -36.2 65.07 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.854 -0.612 . . . . 50.0 110.153 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.01 63.77 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.713 -0.617 . . . . 25.0 112.48 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.29 -31.41 68.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.05 0.452 . . . . 50.0 110.645 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -54.78 39.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 107.99 -1.115 . . . . 50.0 107.99 172.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 95.8 m -61.78 -41.5 97.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.671 -0.241 . . . . 50.0 111.085 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 40.7 mt -60.07 -41.17 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.017 0.437 . . . . 50.0 110.421 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.02 -32.42 73.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -92.11 -9.88 40.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.975 0.417 . . . . 50.0 111.285 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.48 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.8 ttm -79.16 154.1 29.56 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.319 -0.863 . . . . 50.0 112.86 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -73.69 138.13 77.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.831 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 94.61 1.02 Allowed 'Trans proline' 0 CA--C 1.529 0.23 1 C-N-CA 126.039 4.493 . . . . 50.0 115.488 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 121.501 0.667 . . . . 50.0 112.591 179.283 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 N-CA-C 111.385 -0.686 . . . . 50.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -113.04 139.67 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -142.03 152.21 43.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.727 -0.215 . . . . 50.0 111.46 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -88.75 106.09 18.13 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.416 0.627 . . . . 50.0 110.126 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -69.82 -31.43 69.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 114.891 -1.05 . . . . 50.0 112.454 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -94.0 -18.44 21.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.794 1.035 . . . . 50.0 113.794 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 16.0 t -110.9 19.14 18.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.48 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 9.1 p90 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.033 -0.985 . . . . 50.0 113.385 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 117.467 2.395 . . . . 25.0 117.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 145.75 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 O-C-N 120.902 -1.123 . . . . 50.0 111.585 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.3 p -97.88 164.43 12.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.146 0.498 . . . . 25.0 110.231 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -31.69 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.227 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.74 -35.55 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.285 -0.566 . . . . 50.0 110.627 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -60.08 -42.68 95.12 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 121.127 0.489 . . . . 50.0 110.302 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 3.9 ptp -73.45 -21.04 60.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.19 -0.671 . . . . 50.0 109.19 -177.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.93 -39.91 20.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.315 -0.402 . . . . 50.0 110.24 -175.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -38.03 54.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.405 -0.961 . . . . 50.0 108.405 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.451 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 53.2 t80 -69.83 -25.5 63.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.553 0.946 . . . . 50.0 113.553 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.46 64.76 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 120.974 -1.079 . . . . 50.0 109.062 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.57 -19.99 62.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.256 0.48 . . . . 25.0 109.836 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 4.3 t -63.1 -15.68 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.865 0.364 . . . . 50.0 110.566 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -23.36 31.0 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.014 1.116 . . . . 50.0 114.014 173.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -112.93 -15.97 12.78 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 120.713 0.292 . . . . 50.0 111.409 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -62.53 -51.31 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.241 0.83 . . . . 50.0 113.241 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.01 1.28 30.91 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.856 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -55.32 103.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.715 1.245 . . . . 50.0 113.225 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.455 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 77.1 ttt180 -55.87 -30.88 62.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.013 -1.903 . . . . 50.0 113.504 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -121.74 -0.64 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.54 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 58.58 36.23 25.02 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.2 p -74.26 -9.31 58.48 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.7 0.63 . . . . 50.0 112.7 176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.16 15.36 60.88 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.607 -1.797 . . . . 50.0 108.607 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.91 136.29 12.13 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.55 141.71 28.3 Favored 'General case' 0 C--O 1.206 -1.237 0 N-CA-C 104.77 -2.307 . . . . 50.0 104.77 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . 0.47 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -91.77 -167.42 40.39 Favored Glycine 0 C--O 1.207 -1.564 0 N-CA-C 107.127 -2.389 . . . . 50.0 107.127 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -64.03 -62.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.6 0 CA-C-N 120.138 1.969 . . . . 50.0 113.691 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -64.26 -16.99 63.17 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.675 0.75 . . . . 50.0 110.579 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 5.3 mt-10 -87.6 -47.01 9.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.876 -0.602 . . . . 50.0 111.089 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . 0.601 ' HD2' ' CE1' ' A' ' 812' ' ' PHE . 1.3 t80 -64.87 -31.48 72.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.914 -1.116 . . . . 75.0 110.399 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -21.91 62.75 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.079 -0.712 . . . . 50.0 109.079 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.74 -34.85 22.78 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.59 -49.56 76.12 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . 0.413 HD11 ' CE1' ' A' ' 771' ' ' PHE . 10.0 mt -60.81 -18.21 54.13 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 115.752 1.76 . . . . 50.0 115.752 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.59 -39.6 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.5 m -76.79 -8.29 57.03 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.379 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.07 -15.72 16.65 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.806 -0.634 . . . . 50.0 110.252 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.93 51.91 2.02 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 118.947 -1.597 . . . . 25.0 111.375 177.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.59 158.07 30.78 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.28 2.696 . . . . 50.0 118.28 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . 0.443 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 30.2 t0 -84.46 10.85 9.75 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.985 1.714 . . . . 25.0 111.967 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.3 171.16 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.21 -0.904 . . . . 50.0 108.625 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.06 -165.39 12.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.651 -0.979 . . . . 50.0 110.651 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -85.61 48.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.351 0.596 . . . . 25.0 110.526 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.33 152.41 54.89 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 107.287 -1.375 . . . . 50.0 107.287 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.68 -21.96 44.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 117.943 -0.905 . . . . 50.0 111.357 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.36 -46.66 59.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.69 -31.22 73.07 Favored Glycine 0 C--O 1.205 -1.657 0 C-N-CA 120.773 -0.727 . . . . 50.0 112.408 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -63.66 -30.25 71.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 118.138 0.969 . . . . 50.0 110.571 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -73.76 -40.6 63.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -71.46 -36.04 71.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.089 -0.959 . . . . 50.0 109.779 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.95 98.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.129 -1.063 . . . . 50.0 108.129 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.01 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.2 -0.296 . . . . 25.0 110.2 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -65.99 -43.06 88.89 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.606 -0.438 . . . . 50.0 110.449 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.68 -44.33 89.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.112 -1.44 . . . . 50.0 107.112 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.53 43.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.51 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 35.6 t -84.17 -18.42 36.76 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 24.1 pt -95.26 -22.34 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.822 -0.549 . . . . 50.0 111.062 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 36.0 m -93.94 19.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 -175.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -115.7 62.8 2.0 Allowed Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.619 -0.675 . . . . 25.0 109.941 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.65 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.355 0.902 0 CA-C-O 121.642 0.601 . . . . 75.0 112.581 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -98.97 -2.26 37.86 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 106.977 -1.49 . . . . 50.0 106.977 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 53.3 37.42 25.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.11 1.364 . . . . 50.0 114.169 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -10.85 23.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.983 -1.462 . . . . 50.0 110.591 176.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 73.07 24.01 76.64 Favored Glycine 0 N--CA 1.462 0.403 0 CA-C-O 121.754 0.641 . . . . 50.0 113.708 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.28 163.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 1 N-CA-C 100.146 -4.02 . . . . 50.0 100.146 177.255 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' A' ' 812' ' ' PHE . 97.7 t -97.97 116.68 41.25 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.31 1 CA-C-O 81.093 -18.575 . . . . 50.0 116.808 -167.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.506 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.7 OUTLIER -117.59 178.78 4.27 Favored 'General case' 0 C--N 1.261 -3.281 2 O-C-N 77.812 -28.055 . . . . 25.0 102.146 -160.232 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -41.37 33.2 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 115.179 1.548 . . . . 50.0 115.179 176.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.506 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.3 OUTLIER -76.34 -15.5 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.283 0.563 . . . . 50.0 110.24 -177.572 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -91.56 -39.65 11.79 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.098 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.601 ' CE1' ' HD2' ' A' ' 771' ' ' PHE . 61.9 m-85 -54.25 -32.08 55.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.065 -0.971 . . . . 50.0 112.531 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.3 mm -57.1 -34.77 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.541 0.686 . . . . 50.0 110.355 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -46.59 -51.6 15.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.695 -1.139 . . . . 50.0 110.247 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.443 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.8 t80 -71.39 -42.62 68.15 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.418 -0.513 . . . . 50.0 111.201 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.451 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -54.62 -33.12 60.0 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 113.811 1.041 . . . . 50.0 113.811 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.4 t -79.49 -19.87 48.66 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 120.252 -1.53 . . . . 50.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -79.01 -21.6 46.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 110.252 -0.277 . . . . 50.0 110.252 176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.402 ' HB3' HE21 ' A' ' 856' ' ' GLN . 16.2 tt0 -61.0 -4.91 1.15 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.188 1.395 . . . . 50.0 113.091 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 p -76.25 -6.64 52.32 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.49 -0.756 . . . . 25.0 110.156 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -104.91 148.19 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -89.53 157.0 18.26 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.532 0.938 . . . . 50.0 113.532 -175.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.04 163.74 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.17 -0.923 . . . . 25.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.6 -38.78 78.71 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.656 1.217 . . . . 25.0 109.736 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.0 p -75.4 -18.07 60.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.772 -1.104 . . . . 25.0 112.042 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.59 -19.34 63.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.768 0.318 . . . . 25.0 110.876 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.12 -38.31 79.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.046 -1.094 . . . . 50.0 108.046 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.232 0.827 . . . . 50.0 113.232 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.54 -29.61 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.52 -0.548 . . . . 50.0 109.52 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 98.8 mtp -64.63 -9.68 21.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.408 0.521 . . . . 50.0 112.408 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.92 63.61 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.641 -0.662 . . . . 25.0 111.325 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -59.16 -26.3 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.313 0.578 . . . . 50.0 111.16 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.98 -23.37 66.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.171 0.434 . . . . 50.0 112.171 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -72.37 -36.44 68.74 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.187 -0.946 . . . . 50.0 108.823 175.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.34 -42.53 93.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 108.165 -1.05 . . . . 50.0 108.165 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.24 -46.83 88.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.589 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.67 91.65 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.698 0.761 . . . . 25.0 110.019 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.74 -87.79 1.05 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.739 -0.743 . . . . 25.0 111.775 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.02 -16.83 11.6 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -76.1 154.1 35.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 50.0 110.774 -173.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -81.22 -5.27 57.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.973 1.101 . . . . 50.0 113.973 -176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -147.18 164.17 34.0 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 107.499 -1.297 . . . . 50.0 107.499 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.7 tp -115.14 148.17 18.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.112 -1.44 . . . . 50.0 107.112 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.1 p -88.85 150.98 22.63 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 49.8 mtt -55.18 -30.84 60.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 50.0 111.143 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.43 -37.11 79.96 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.691 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.07 -35.05 78.99 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.016 -0.428 . . . . 50.0 109.964 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.78 -42.13 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.485 -0.932 . . . . 50.0 108.485 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -75.49 16.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 50.0 112.594 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -107.12 -32.41 7.84 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.94 -1.504 . . . . 50.0 106.94 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.1 -28.46 12.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.097 -0.956 . . . . 75.0 109.879 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.24 84.54 9.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.243 -0.28 . . . . 50.0 110.243 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -63.8 -22.84 69.26 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 C-N-CA 113.452 -3.899 . . . . 25.0 117.148 167.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -81.79 -168.43 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.531 0 N-CA-C 116.139 1.553 . . . . 50.0 116.139 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -26.3 6.42 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.386 1.254 . . . . 50.0 114.386 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 819' ' ' GLU . 12.1 mp0 -57.06 -31.21 64.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.391 -0.193 . . . . 50.0 110.518 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.86 81.38 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.477 -0.764 . . . . 25.0 111.349 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.42 -30.96 57.64 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 119.909 -0.716 . . . . 50.0 112.773 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -51.6 60.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.661 -1.607 . . . . 50.0 106.661 170.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.25 -42.51 93.23 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.993 -0.549 . . . . 50.0 110.983 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.4 -40.35 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 122.746 0.419 . . . . 50.0 110.389 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.65 96.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.181 0.515 . . . . 25.0 111.676 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -77.8 -18.06 56.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.534 -0.303 . . . . 50.0 110.905 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.497 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.3 ttm -72.82 147.97 44.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 -175.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.14 139.85 87.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.993 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.29 92.89 1.1 Allowed 'Trans proline' 0 C--O 1.234 0.301 1 C-N-CA 125.97 4.446 . . . . 50.0 114.614 -175.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 122.414 1.102 . . . . 50.0 113.794 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 112.033 -0.427 . . . . 50.0 112.033 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 136.64 52.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.94 -1.134 . . . . 25.0 107.94 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.93 154.3 44.98 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 867' ' ' TYR . 18.5 t0 -87.74 108.84 19.31 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.467 0.651 . . . . 50.0 111.874 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -64.27 -34.83 79.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.705 -1.134 . . . . 50.0 112.276 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -98.67 -19.28 17.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.005 1.483 . . . . 50.0 115.005 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.2 t -108.84 18.91 20.24 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.004 0.431 . . . . 50.0 110.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 114.048 1.129 . . . . 50.0 114.048 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 122.23 1.014 . . . . 25.0 113.568 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.23 147.81 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.61 -1.256 . . . . 50.0 107.61 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 744' ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 7.4 t -97.54 167.02 11.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.344 0.592 . . . . 25.0 110.477 176.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -30.14 71.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 50.0 109.748 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -75.95 -40.85 53.15 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 110.252 -0.277 . . . . 50.0 110.252 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -59.66 -40.78 88.87 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.822 0.344 . . . . 50.0 110.617 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.1 ptp -74.21 -21.41 59.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.349 -0.982 . . . . 50.0 108.349 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.91 -30.47 26.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.359 0.503 . . . . 50.0 112.359 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.47 -39.51 18.83 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.49 -0.756 . . . . 50.0 109.701 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -67.87 -25.48 65.54 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.304 0.853 . . . . 50.0 113.304 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -19.65 46.79 Favored 'General case' 0 C--O 1.198 -1.622 0 O-C-N 121.474 -0.767 . . . . 50.0 110.181 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.56 60.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.188 0.904 . . . . 25.0 110.046 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.6 t -62.14 -15.77 48.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.257 0.551 . . . . 50.0 109.869 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -24.05 54.59 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.097 0.777 . . . . 50.0 113.097 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -108.81 -6.08 15.99 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 120.746 0.308 . . . . 50.0 110.846 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -70.93 -54.43 11.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.559 0.577 . . . . 50.0 112.559 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . 0.406 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 3.4 m-85 -103.19 4.2 36.55 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 112.071 0.397 . . . . 50.0 112.071 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -56.09 100.8 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.935 1.35 . . . . 50.0 112.171 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.618 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 63.5 ttt180 -60.48 -33.76 73.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 112.771 -2.013 . . . . 50.0 112.998 -171.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -115.62 1.49 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 50.0 109.634 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . 0.256 31.8 p-80 51.72 33.21 10.61 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.533 1.679 . . . . 25.0 115.533 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 55.1 p -64.62 -17.27 63.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.867 0.867 . . . . 50.0 112.594 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 98.85 11.47 46.56 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 108.346 -1.901 . . . . 50.0 108.346 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.34 138.91 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.13 125.54 35.08 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 108.057 -1.09 . . . . 50.0 108.057 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.11 -167.74 38.56 Favored Glycine 0 C--O 1.194 -2.396 0 N-CA-C 109.054 -1.619 . . . . 50.0 109.054 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -61.11 -60.98 0.19 Allowed 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-N 120.921 2.361 . . . . 50.0 114.192 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -16.82 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.927 0.87 . . . . 50.0 110.394 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.618 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 13.7 mt-10 -87.84 -45.66 10.1 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.931 -0.577 . . . . 50.0 109.853 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -58.13 -41.19 83.12 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 50.0 111.447 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -25.27 68.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.904 -0.589 . . . . 50.0 110.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.2 -33.63 22.22 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . 0.406 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 43.4 t -62.32 -46.31 89.31 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 122.035 0.921 . . . . 50.0 108.936 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.3 -19.03 53.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 116.422 2.008 . . . . 50.0 116.422 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.97 -38.98 83.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 48.8 m -77.54 -9.19 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.01 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.06 -15.31 19.07 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.797 -0.446 . . . . 50.0 109.797 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.89 51.27 3.65 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 118.458 -1.829 . . . . 25.0 110.165 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.2 164.81 4.94 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.648 2.092 . . . . 50.0 116.648 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.0 17.71 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.853 0.835 . . . . 25.0 111.173 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.18 175.12 11.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 114.842 -1.072 . . . . 50.0 108.864 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -152.41 -173.73 22.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 105.321 -3.111 . . . . 50.0 105.321 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 7.62 13.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.285 1.042 . . . . 25.0 110.136 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.38 153.49 76.0 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.083 -0.962 . . . . 50.0 108.594 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.82 -23.89 41.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 116.599 -1.801 . . . . 50.0 112.055 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -50.01 41.0 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.772 -1.196 . . . . 50.0 107.772 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.92 89.19 Favored Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.396 -0.907 . . . . 50.0 114.265 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 118.311 1.055 . . . . 50.0 110.445 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.37 -40.86 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.73 -34.38 69.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.549 -0.751 . . . . 50.0 110.028 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . 0.424 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.91 -44.13 97.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.289 -1.374 . . . . 50.0 107.289 175.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.81 72.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.689 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -60.86 -42.11 97.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.446 -0.946 . . . . 50.0 108.446 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.6 mt -72.06 -40.49 67.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -28.57 24.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.512 . . . . 50.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.86 -33.19 52.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.87 -0.605 . . . . 50.0 111.619 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.4 pt -84.19 -23.75 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.589 -0.694 . . . . 50.0 111.632 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 30.7 m -91.6 20.26 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.909 0.861 . . . . 50.0 110.207 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -122.83 61.1 15.97 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.459 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -1.98 8.5 Favored 'Trans proline' 0 C--N 1.348 0.509 0 N-CA-C 114.867 1.064 . . . . 50.0 114.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.23 -3.32 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 39.52 20.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.238 1.015 . . . . 50.0 112.287 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -8.34 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.47 -0.786 . . . . 50.0 112.09 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.36 23.39 63.07 Favored Glycine 0 N--CA 1.459 0.226 0 C-N-CA 121.217 -0.516 . . . . 50.0 113.947 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.58 153.03 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.527 -0.545 . . . . 50.0 109.527 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.44 127.09 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.255 0.55 . . . . 50.0 110.239 -175.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.55 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.0 OUTLIER -108.47 169.91 8.35 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.575 -178.324 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.12 -45.37 43.43 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.327 1.232 . . . . 50.0 114.327 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.55 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.6 OUTLIER -71.59 -18.91 62.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 50.0 110.384 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.96 20.04 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.67 -0.696 . . . . 25.0 110.972 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 50.0 112.065 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 9.6 mm -62.45 -31.29 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.42 0.629 . . . . 50.0 110.381 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -44.63 -54.04 6.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.391 -1.277 . . . . 50.0 109.51 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . 0.42 ' HA ' ' HG3' ' A' ' 818' ' ' ARG . 2.1 t80 -72.54 -42.03 65.15 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.655 -0.418 . . . . 50.0 111.996 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -29.29 35.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.534 1.679 . . . . 50.0 115.534 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 37.4 t -84.63 -20.07 31.96 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.379 -1.451 . . . . 50.0 111.142 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . 0.42 ' HG3' ' HA ' ' A' ' 815' ' ' PHE . 5.2 mtm105 -71.97 -21.74 61.54 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.376 0.608 . . . . 50.0 109.914 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.553 ' HB3' HE22 ' A' ' 856' ' ' GLN . 2.8 tp10 -49.75 -22.79 1.51 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.367 1.867 . . . . 50.0 114.113 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.8 p -72.32 -2.13 17.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -105.16 158.82 16.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.886 0.475 . . . . 25.0 111.182 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -71.46 141.35 50.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.305 0.483 . . . . 50.0 112.305 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.48 158.96 43.22 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.63 -0.259 . . . . 25.0 111.326 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.64 -46.48 72.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.381 1.086 . . . . 25.0 109.775 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.8 p -64.15 -21.81 66.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.666 -1.152 . . . . 25.0 112.016 177.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.403 ' HA ' HG11 ' A' ' 829' ' ' VAL . . . -55.68 -25.53 40.17 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.95 1.093 . . . . 25.0 113.95 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.77 -33.13 72.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.748 0.785 . . . . 50.0 110.622 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -74.56 -37.69 62.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.857 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' ' 826' ' ' ALA . 12.6 p -80.87 -36.34 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.314 -0.555 . . . . 50.0 111.123 -175.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.6 ppp? -66.86 -13.18 61.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.232 0.539 . . . . 50.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.28 -19.56 47.08 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.8 p -56.0 -28.93 59.35 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 122.855 0.462 . . . . 50.0 112.041 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.25 -27.13 68.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.412 0.551 . . . . 50.0 111.7 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -36.02 69.73 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.734 -0.839 . . . . 50.0 108.734 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.33 -39.05 63.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.815 -1.55 . . . . 50.0 106.815 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.92 92.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.122 -0.945 . . . . 50.0 111.325 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.93 73.94 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.745 0.783 . . . . 25.0 109.282 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.83 -86.32 1.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.346 -0.702 . . . . 25.0 111.346 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -114.98 -21.76 9.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . 0.45 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 14.4 ptmt -73.69 155.78 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 50.0 110.294 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -85.53 -5.1 59.32 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.796 0.665 . . . . 50.0 112.796 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -140.89 162.72 34.79 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 106.774 -1.565 . . . . 50.0 106.774 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.571 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.3 tp -116.65 149.42 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 105.59 -2.004 . . . . 50.0 105.59 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 63.4 p -89.32 155.76 19.15 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.3 mtt -57.37 -34.28 68.68 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.281 -0.872 . . . . 50.0 112.159 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.571 ' HB2' HG13 ' A' ' 843' ' ' ILE . 15.8 mt-10 -72.52 -36.03 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.168 -0.333 . . . . 50.0 110.651 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.27 -41.4 81.1 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 106.751 -1.574 . . . . 50.0 106.751 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.93 31.74 0.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.329 0.651 . . . . 50.0 111.128 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.16 -32.7 2.01 Favored 'General case' 0 CA--C 1.49 -1.351 0 N-CA-C 105.882 -1.896 . . . . 50.0 105.882 -176.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.436 ' HG3' HD22 ' A' ' 852' ' ' LEU . 17.3 pt-20 -101.79 -22.34 14.4 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.174 -1.376 . . . . 50.0 108.546 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.436 HD22 ' HG3' ' A' ' 851' ' ' GLU . 4.8 mt -122.12 86.79 47.26 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.044 0.537 . . . . 50.0 111.951 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.61 -25.05 69.49 Favored 'Trans proline' 0 CA--C 1.577 2.662 0 C-N-CA 114.172 -3.419 . . . . 25.0 117.652 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.464 ' HB3' ' H ' ' A' ' 744' ' ' SER . 56.2 Cg_endo -77.25 -170.77 0.99 Allowed 'Trans proline' 0 C--N 1.364 1.367 0 N-CA-C 115.639 1.361 . . . . 50.0 115.639 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.45 0.42 5.21 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 113.08 0.77 . . . . 50.0 113.08 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.553 HE22 ' HB3' ' A' ' 819' ' ' GLU . 18.8 mm-40 -61.1 -30.37 70.31 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.439 -2.06 . . . . 50.0 105.439 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.82 68.57 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.894 -0.504 . . . . 25.0 111.527 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -35.95 81.74 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.21 -0.596 . . . . 50.0 110.428 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -52.78 63.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.573 -0.899 . . . . 50.0 108.573 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.6 m -62.87 -43.24 99.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.132 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.79 -40.25 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.778 0.431 . . . . 50.0 110.56 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -9.0 58.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.283 -0.417 . . . . 50.0 112.074 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.403 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.9 ttm -80.68 152.43 28.43 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.458 -0.776 . . . . 50.0 112.838 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -75.89 143.35 74.33 Favored Pre-proline 0 C--O 1.215 -0.712 0 O-C-N 122.024 -0.423 . . . . 25.0 111.596 -175.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.86 93.0 1.11 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 125.232 3.955 . . . . 50.0 115.103 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 122.312 1.053 . . . . 50.0 113.194 -179.136 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.797 0 N-CA-C 107.978 -2.049 . . . . 50.0 107.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.82 136.6 52.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -141.73 149.68 40.82 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.419 0.155 . . . . 50.0 111.419 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -86.97 110.4 20.01 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.759 -0.588 . . . . 50.0 110.872 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -67.23 -37.43 83.55 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.205 -0.907 . . . . 50.0 111.253 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.12 -31.82 17.81 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.097 1.147 . . . . 50.0 114.097 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.7 t -99.69 20.11 14.66 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.04 0.447 . . . . 50.0 110.656 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.403 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.8 p90 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 114.075 1.139 . . . . 50.0 114.075 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 122.341 1.067 . . . . 25.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.26 143.17 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.978 -1.01 . . . . 50.0 108.537 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 41.8 m -88.01 160.2 17.97 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.725 -0.61 . . . . 25.0 110.204 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.17 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.699 -0.682 . . . . 50.0 110.641 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -82.85 -39.65 21.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 119.585 -0.245 . . . . 50.0 110.621 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 747' ' ' GLN . . . . . 0.434 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.7 tp60 -57.64 -41.11 80.74 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.346 0.593 . . . . 50.0 110.138 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -74.35 -21.05 59.87 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.706 -0.621 . . . . 50.0 109.336 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -33.39 23.48 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.946 -0.302 . . . . 50.0 111.132 -175.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -81.97 -36.92 27.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.784 -0.821 . . . . 50.0 108.784 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 751' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 33.6 t80 -69.94 -27.22 64.57 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 115.248 1.573 . . . . 50.0 115.248 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 752' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 755' ' ' PHE . 5.7 ppt_? -66.11 -12.72 57.49 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.691 -1.226 . . . . 50.0 107.691 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.62 -18.78 61.56 Favored 'General case' 0 CA--C 1.473 -2.011 0 O-C-N 118.831 -2.418 . . . . 25.0 110.781 173.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -19.78 65.93 Favored 'General case' 1 C--O 1.061 -8.848 0 N-CA-C 117.016 2.228 . . . . 50.0 117.016 177.193 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 755' ' ' PHE . . . . . 1.554 ' HB3' ' CB ' ' A' ' 755' ' ' PHE 0.322 0.0 OUTLIER -43.24 -37.35 2.12 Favored 'General case' 0 C--O 1.286 3.025 0 C-N-CA 129.054 2.942 . . . . 75.0 112.714 163.764 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -112.01 -15.34 13.31 Favored 'General case' 0 C--N 1.264 -3.131 0 N-CA-C 113.051 0.76 . . . . 50.0 113.051 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -65.3 -54.15 33.41 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.477 0.917 . . . . 50.0 113.477 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.28 2.97 40.36 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.352 0.407 . . . . 50.0 111.48 -177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -55.8 104.62 0.14 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.173 0.987 . . . . 50.0 112.717 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 760' ' ' ARG . . . . . 0.502 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 22.6 ttt-85 -55.36 -31.91 62.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.188 -1.824 . . . . 50.0 113.105 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -120.51 -1.91 10.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.422 -0.353 . . . . 50.0 111.145 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 60.95 33.91 19.65 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 71.9 p -73.14 -11.6 60.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 123.685 0.794 . . . . 50.0 112.728 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' GLY . . . . . 1.521 ' CA ' ' HA2' ' A' ' 764' ' ' GLY . . . 89.56 17.27 55.27 Favored Glycine 0 C--O 1.195 -2.292 0 N-CA-C 104.973 -3.251 . . . . 50.0 104.973 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' THR . . . . . 0.434 ' HB ' ' HB ' ' A' ' 806' ' ' VAL . 1.2 p -158.26 137.8 11.9 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.72 124.89 42.24 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.76 -166.12 38.45 Favored Glycine 0 C--O 1.196 -2.24 0 N-CA-C 109.242 -1.543 . . . . 50.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -61.82 -59.74 0.26 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.843 2.322 . . . . 50.0 115.038 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -17.01 63.91 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.418 1.104 . . . . 50.0 110.046 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.502 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.4 mt-10 -86.27 -47.77 9.12 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.92 -41.42 82.67 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 123.666 0.786 . . . . 50.0 112.037 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -23.54 67.27 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.864 -0.607 . . . . 50.0 110.688 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.36 21.04 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.39 -46.37 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.108 0.956 . . . . 50.0 108.744 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.04 -18.78 61.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 116.546 2.054 . . . . 50.0 116.546 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.69 -40.71 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 37.5 m -77.92 -5.85 52.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.376 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.72 -6.48 16.8 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.008 -0.542 . . . . 50.0 110.774 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.63 50.97 4.48 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 118.711 -1.709 . . . . 25.0 112.68 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.1 162.96 18.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 116.942 2.201 . . . . 50.0 116.942 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -98.92 15.91 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.639 -175.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.26 174.99 12.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.204 -0.907 . . . . 50.0 109.783 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -164.95 -164.28 19.97 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 104.854 -3.299 . . . . 50.0 104.854 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -86.2 18.23 3.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.48 1.14 . . . . 25.0 109.006 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.75 152.53 96.24 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 114.846 -1.07 . . . . 50.0 109.692 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.79 -20.64 58.75 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 117.646 -1.103 . . . . 50.0 113.283 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -86.12 -47.51 9.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.152 0.501 . . . . 50.0 109.652 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -69.76 -27.67 72.97 Favored Glycine 0 C--O 1.207 -1.564 0 C-N-CA 120.374 -0.917 . . . . 50.0 115.116 -175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.5 -28.19 69.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 1.481 . . . . 50.0 110.552 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.18 -41.17 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -70.39 -38.6 74.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.94 -1.027 . . . . 50.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -49.06 75.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.572 -1.27 . . . . 50.0 107.572 176.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.77 76.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 25.0 111.679 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -63.09 -40.5 97.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.7 mt -70.03 -43.03 79.56 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 N-CA-C 108.295 -1.002 . . . . 50.0 108.295 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -23.71 29.84 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.13 0.491 . . . . 50.0 110.855 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.9 t -81.14 -26.51 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.407 . . . . 50.0 112.048 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.9 pt -94.02 -24.94 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.883 0.697 . . . . 50.0 112.883 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 35.9 m -87.38 24.0 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.558 1.171 . . . . 50.0 109.533 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.34 60.1 28.37 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.946 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.77 1.67 4.87 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 115.087 1.149 . . . . 50.0 115.087 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -114.34 -4.7 12.96 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 107.546 -1.279 . . . . 50.0 107.546 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 53.14 40.86 31.92 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.506 1.122 . . . . 50.0 113.673 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.23 -11.23 22.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.14 -0.936 . . . . 50.0 109.899 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.73 22.73 49.03 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.202 -0.454 . . . . 50.0 112.88 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 765' ' ' THR . 0.0 OUTLIER -145.06 153.29 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 122.945 0.498 . . . . 50.0 110.117 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.62 129.24 42.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.425 0.631 . . . . 50.0 109.554 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' THR . . . . . 0.416 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.2 OUTLIER -110.59 164.5 12.66 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.42 -178.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.2 OUTLIER -47.27 -44.33 22.99 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 114.209 1.189 . . . . 50.0 114.209 -179.305 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' GLN . . . . . 0.416 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.8 OUTLIER -72.5 -18.83 61.63 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 122.023 0.916 . . . . 50.0 110.841 -178.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.24 -38.81 15.99 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 114.73 -1.123 . . . . 25.0 111.338 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' PHE . . . . . 0.492 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 71.8 m-85 -52.8 -37.34 59.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 122.766 1.27 . . . . 50.0 111.413 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.3 mm -63.32 -32.36 56.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 114.018 -1.446 . . . . 50.0 111.823 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.44 -46.02 62.84 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.488 -0.778 . . . . 50.0 110.14 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -71.44 -44.43 64.84 Favored 'General case' 0 C--O 1.201 -1.463 0 N-CA-C 108.851 -0.796 . . . . 50.0 108.851 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.429 ' HA ' ' HE2' ' A' ' 816' ' ' MET . 0.9 OUTLIER -61.9 -21.85 65.08 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 116.49 2.033 . . . . 50.0 116.49 -176.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 17.9 t -80.94 -19.53 43.98 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 120.495 -1.378 . . . . 50.0 109.08 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -72.79 -21.43 60.99 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 116.065 -0.516 . . . . 50.0 110.019 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.407 ' HB2' ' HE2' ' A' ' 816' ' ' MET . 28.1 tt0 -54.42 -20.26 7.15 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.233 0.958 . . . . 50.0 111.709 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 45.1 p -63.94 -13.31 44.87 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.927 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.7 125.97 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.95 152.32 40.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.868 1.062 . . . . 50.0 113.868 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.6 158.4 44.52 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.963 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.46 -44.67 89.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.635 1.207 . . . . 25.0 109.984 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 14.0 p -72.62 -15.93 61.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.528 -1.214 . . . . 25.0 113.369 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.31 -23.37 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.86 -33.54 71.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.728 0.775 . . . . 50.0 110.148 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -70.53 -40.49 73.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.548 . . . . 50.0 111.921 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.12 -34.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.1 mtm -63.85 -14.14 50.7 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 112.195 0.442 . . . . 50.0 112.195 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.81 -19.4 4.3 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.14 -0.35 . . . . 25.0 111.47 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -52.77 -29.6 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.165 0.586 . . . . 50.0 112.431 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -23.55 66.14 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.221 0.919 . . . . 50.0 112.569 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -37.59 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.97 -1.081 . . . . 50.0 108.839 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.77 -42.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.487 -0.324 . . . . 50.0 111.52 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.851 0.834 . . . . 25.0 109.074 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 75.82 -90.27 0.87 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.669 -0.776 . . . . 25.0 112.307 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -114.97 -1.01 13.21 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -94.46 157.74 15.87 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.744 -0.598 . . . . 50.0 109.921 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -91.4 0.39 57.52 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.618 1.34 . . . . 50.0 114.618 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.53 162.45 36.56 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 105.509 -2.034 . . . . 50.0 105.509 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' ILE . . . . . 0.416 HG13 ' HB2' ' A' ' 847' ' ' GLU . 4.9 tp -114.91 149.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 106.762 -1.57 . . . . 50.0 106.762 176.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.0 p -89.85 151.64 21.66 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.6 mtt -55.19 -34.37 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.094 0.473 . . . . 50.0 109.792 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.25 -22.22 61.27 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.46 0.541 . . . . 50.0 112.46 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 843' ' ' ILE . 6.6 mt-10 -75.4 -32.59 60.82 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.782 -0.574 . . . . 50.0 109.501 177.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' A' ' 850' ' ' ARG . 59.3 mt -71.64 -39.25 70.5 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 106.987 -1.486 . . . . 50.0 106.987 176.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -79.75 33.95 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.245 -0.889 . . . . 50.0 109.811 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 848' ' ' LEU . 4.5 ttp180 -124.27 -32.4 3.19 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 106.395 -1.706 . . . . 50.0 106.395 -176.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.426 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 24.4 pt-20 -108.69 -18.97 13.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.763 -1.562 . . . . 50.0 108.283 177.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' LEU . . . . . 0.426 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.7 mt -121.74 81.0 40.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.051 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.97 -23.56 74.09 Favored 'Trans proline' 0 CA--C 1.581 2.843 0 C-N-CA 113.426 -3.916 . . . . 25.0 117.765 167.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 58.5 Cg_endo -79.9 -170.03 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 118.153 2.328 . . . . 50.0 118.153 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.41 -25.51 6.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.68 1.192 . . . . 50.0 112.383 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.61 -30.92 65.72 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.718 -0.614 . . . . 75.0 112.222 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.55 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.264 -0.574 . . . . 25.0 110.148 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.17 -34.48 73.04 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 120.123 -0.631 . . . . 50.0 111.325 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.02 68.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.802 -0.636 . . . . 50.0 109.334 173.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.6 m -63.87 -44.11 94.09 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.445 -0.343 . . . . 50.0 110.867 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.27 -41.75 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.874 0.47 . . . . 50.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.97 92.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.412 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -10.15 57.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.169 0.433 . . . . 50.0 112.169 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.1 ttm -80.16 151.88 29.51 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.845 -0.534 . . . . 50.0 111.535 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.27 140.17 76.09 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.743 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.85 94.88 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 125.261 3.974 . . . . 50.0 114.9 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.318 -0.784 0 CA-C-O 121.966 0.888 . . . . 50.0 113.071 179.442 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.545 0 N-CA-C 111.958 -0.457 . . . . 50.0 111.958 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.92 140.37 47.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.8 mt -141.96 153.42 44.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.976 0.362 . . . . 50.0 111.976 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -90.07 107.12 18.93 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.689 0.756 . . . . 50.0 110.349 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -68.0 -35.44 78.31 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.28 -1.327 . . . . 50.0 111.509 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -92.26 -20.82 20.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.372 1.249 . . . . 50.0 114.372 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.1 t -109.54 20.49 18.11 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.03 0.443 . . . . 50.0 110.0 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 115.051 1.501 . . . . 50.0 115.051 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 CA-C-O 119.569 -0.573 . . . . 25.0 112.653 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 74.5 p -144.77 22.89 1.6 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.024 0.912 . . . . 25.0 110.881 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 18.2 m 55.31 -140.06 0.94 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.517 0.727 . . . . 25.0 111.857 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.04 145.17 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.959 0.885 . . . . 50.0 112.236 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.44 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 31.0 t -90.73 158.07 17.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.889 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -26.63 68.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 50.0 109.578 174.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -81.93 -37.82 26.2 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 110.008 -0.367 . . . . 50.0 110.008 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.45 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 37.7 tp60 -60.56 -41.27 94.24 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.833 -0.347 . . . . 50.0 110.627 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.8 ptp -73.42 -21.12 60.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.749 -0.78 . . . . 50.0 109.184 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.29 -35.03 31.59 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.67 -0.412 . . . . 50.0 111.63 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.27 -34.45 23.81 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.387 -0.525 . . . . 50.0 109.86 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.1 t80 -72.79 -22.74 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.411 -0.806 . . . . 50.0 112.903 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -63.28 -20.17 65.23 Favored 'General case' 0 C--O 1.204 -1.341 0 O-C-N 121.147 -0.971 . . . . 50.0 109.056 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.91 -21.95 62.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.723 0.692 . . . . 25.0 109.966 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.0 t -63.92 -13.26 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.091 -0.381 . . . . 50.0 111.061 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -23.61 49.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.212 1.19 . . . . 50.0 114.212 172.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -3.79 12.48 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.862 0.363 . . . . 50.0 111.249 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -69.71 -54.93 11.47 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.972 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . 0.416 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.12 2.84 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.157 0.429 . . . . 50.0 112.157 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -54.88 104.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.868 0.842 . . . . 50.0 112.773 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.542 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -55.59 -36.24 66.67 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 113.986 -1.461 . . . . 50.0 112.568 -173.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -115.59 -3.51 12.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.438 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 61.47 31.96 18.93 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 64.7 p -69.58 -11.86 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.56 15.48 59.98 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 108.727 -1.749 . . . . 50.0 108.727 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.42 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.247 -0.976 . . . . 25.0 108.42 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.91 124.76 39.14 Favored 'General case' 0 C--O 1.197 -1.687 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.08 -163.58 30.66 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 109.66 -1.376 . . . . 50.0 109.66 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -62.6 -60.57 0.18 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 CA-C-N 120.642 2.221 . . . . 50.0 114.831 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -68.64 -19.05 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.422 1.106 . . . . 50.0 109.614 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.542 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 10.7 mt-10 -83.26 -46.71 12.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.528 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -60.23 -41.6 93.43 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 123.215 0.606 . . . . 50.0 111.263 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -23.78 66.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.751 -0.659 . . . . 50.0 109.905 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.02 23.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . 0.416 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.1 t -62.99 -45.02 94.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.976 0.893 . . . . 50.0 109.329 176.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.97 -18.85 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 115.798 1.777 . . . . 50.0 115.798 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.84 -38.58 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.0 m -78.52 -4.99 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.501 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.9 -13.55 15.77 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.971 -0.381 . . . . 50.0 109.971 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 83.22 52.41 3.8 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 118.569 -1.777 . . . . 25.0 111.122 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.09 162.87 5.3 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 116.799 2.148 . . . . 50.0 116.799 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -91.69 12.74 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.871 0.868 . . . . 25.0 110.942 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 169.08 20.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 107.885 -1.154 . . . . 50.0 107.885 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.34 -171.15 18.37 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.263 -0.97 . . . . 50.0 111.209 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.63 55.13 3.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.613 0.72 . . . . 25.0 109.39 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.46 162.31 53.59 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.525 -1.287 . . . . 50.0 107.525 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.04 -14.58 26.16 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 117.741 -1.039 . . . . 50.0 114.169 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -87.0 -44.63 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.502 -1.296 . . . . 50.0 107.502 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.5 73.82 Favored Glycine 0 C--O 1.204 -1.775 0 C-N-CA 120.369 -0.919 . . . . 50.0 112.688 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.03 -25.88 66.49 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 118.493 1.146 . . . . 50.0 110.767 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.91 -39.35 51.18 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.48 -34.62 67.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.641 -0.709 . . . . 50.0 110.418 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.463 -1.31 . . . . 50.0 107.463 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.13 -31.32 69.92 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.967 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -40.54 94.02 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.0 -41.11 59.83 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -25.77 35.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.391 0.615 . . . . 50.0 110.98 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -78.66 -30.3 46.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 50.0 111.975 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.08 -23.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.826 -0.546 . . . . 50.0 111.92 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 32.5 m -92.59 23.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 122.324 1.059 . . . . 50.0 109.827 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -121.7 61.16 11.98 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.585 -1.188 . . . . 25.0 109.101 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.62 -8.02 22.51 Favored 'Trans proline' 0 C--N 1.35 0.642 0 N-CA-C 114.495 0.921 . . . . 50.0 114.495 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -2.8 19.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.099 -0.704 . . . . 50.0 109.099 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 56.46 41.43 28.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.899 0.88 . . . . 50.0 113.248 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.14 -7.88 16.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.625 -1.171 . . . . 50.0 110.799 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.96 23.56 63.63 Favored Glycine 0 N--CA 1.458 0.145 0 C-N-CA 121.117 -0.563 . . . . 50.0 113.645 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.27 154.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.645 -0.872 . . . . 50.0 108.645 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 48.6 t -93.7 125.66 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.304 0.573 . . . . 50.0 109.636 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.2 p -105.94 168.61 9.0 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.904 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.64 -44.17 57.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.862 1.06 . . . . 50.0 113.862 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -74.01 -17.42 60.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.079 0.466 . . . . 50.0 110.157 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.45 -37.1 20.14 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.913 -0.585 . . . . 25.0 111.246 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.412 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 65.4 m-85 -59.41 -33.9 71.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.5 . . . . 50.0 111.828 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.4 mm -62.65 -32.2 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 121.82 0.819 . . . . 50.0 110.231 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -49.97 -42.1 48.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.472 -1.24 . . . . 50.0 110.996 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.12 -43.58 28.5 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 120.819 -0.352 . . . . 50.0 111.046 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -31.43 43.36 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 114.558 1.318 . . . . 50.0 114.558 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 42.6 t -77.79 -19.72 54.53 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.406 -1.434 . . . . 50.0 111.132 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -74.67 -21.47 59.39 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.931 -0.396 . . . . 50.0 109.931 177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.44 ' HB3' HE21 ' A' ' 856' ' ' GLN . 3.3 tp10 -53.21 -19.07 2.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.703 1.201 . . . . 50.0 111.969 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.2 p -73.3 5.94 3.24 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -120.57 153.78 36.3 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.129 0.572 . . . . 25.0 110.532 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.05 151.63 42.5 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.432 1.271 . . . . 50.0 114.432 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.25 171.28 16.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.712 174.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -87.34 -35.47 18.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.967 0.889 . . . . 25.0 110.417 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.7 p -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.985 -1.007 . . . . 25.0 110.316 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -55.98 -22.24 25.61 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -36.3 76.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.906 0.86 . . . . 50.0 110.522 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -68.57 -41.96 78.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 50.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.32 -33.68 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.175 -0.61 . . . . 50.0 109.37 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 93.1 mtp -66.23 -20.78 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.896 -0.503 . . . . 50.0 112.247 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.78 65.26 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 25.0 111.011 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 95.4 p -60.28 -26.56 66.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.705 0.631 . . . . 50.0 112.705 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.06 -26.53 68.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 118.206 0.457 . . . . 50.0 111.472 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.29 -35.59 68.75 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.626 -0.672 . . . . 50.0 109.916 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -71.95 -40.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 107.518 -1.29 . . . . 50.0 107.518 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -43.5 97.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.681 -0.691 . . . . 75.0 110.791 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.1 76.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.571 0.7 . . . . 25.0 109.871 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.11 -88.5 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -114.83 -18.59 11.29 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -76.73 155.98 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.925 -0.398 . . . . 50.0 109.925 -172.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -90.09 0.24 57.25 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -144.05 160.31 41.1 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 104.92 -2.252 . . . . 50.0 104.92 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.443 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.4 tp -113.88 149.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 105.733 -1.951 . . . . 50.0 105.733 176.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.4 p -88.6 154.91 19.94 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.56 -32.56 69.02 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -66.61 -32.93 74.57 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.671 -0.695 . . . . 50.0 111.993 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.443 ' HB2' HG13 ' A' ' 843' ' ' ILE . 19.9 mt-10 -71.98 -37.49 69.88 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.925 -0.484 . . . . 50.0 110.67 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.08 -37.95 84.88 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.229 -1.026 . . . . 50.0 108.229 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -82.46 32.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.823 -0.626 . . . . 50.0 110.84 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -124.81 -38.55 2.35 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 106.471 -1.678 . . . . 50.0 106.471 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.462 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -94.42 -20.45 19.7 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.28 -1.327 . . . . 50.0 108.613 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.462 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.4 mt -124.1 85.56 54.64 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 112.314 0.487 . . . . 50.0 112.314 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -54.62 -33.17 78.23 Favored 'Trans proline' 0 CA--C 1.58 2.779 0 N-CA-C 118.491 2.458 . . . . 25.0 118.491 165.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 46.7 Cg_endo -81.62 -167.55 0.51 Allowed 'Trans proline' 0 C--N 1.364 1.355 0 N-CA-C 117.262 1.985 . . . . 50.0 117.262 -174.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.43 -23.01 22.84 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.849 1.055 . . . . 50.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 819' ' ' GLU . 10.1 mp0 -58.92 -29.86 67.4 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.287 -0.565 . . . . 75.0 110.38 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.47 -47.93 77.13 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.37 -0.832 . . . . 25.0 111.727 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.41 -34.78 72.9 Favored 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 120.185 -0.606 . . . . 50.0 111.298 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -50.54 72.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -63.13 -44.35 95.8 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.824 -0.171 . . . . 50.0 110.638 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.57 -41.42 87.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.793 0.33 . . . . 50.0 110.494 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.14 99.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -83.99 -12.65 54.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.813 0.301 . . . . 50.0 111.813 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.414 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.9 ttm -77.74 151.64 34.01 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.877 -0.514 . . . . 50.0 110.924 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.63 129.28 94.11 Favored Pre-proline 0 C--O 1.223 -0.312 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.153 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.43 87.13 1.26 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.397 2.065 . . . . 50.0 114.762 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -89.49 98.48 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.585 -1.265 . . . . 50.0 107.585 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 45.4 p -144.54 161.47 39.01 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 145.13 -178.54 22.84 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 106.65 -2.58 . . . . 50.0 106.65 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -74.04 -25.01 14.42 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 CA-C-N 119.595 1.697 . . . . 50.0 113.639 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -83.27 -12.27 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.188 0.994 . . . . 50.0 108.381 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 26.1 m -100.13 165.67 11.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.165 -1.38 . . . . 50.0 108.172 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.07 155.19 38.51 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 105.936 -1.876 . . . . 50.0 105.936 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.99 121.29 8.14 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 116.533 -1.845 . . . . 50.0 111.046 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 82.46 53.87 3.48 Favored Glycine 0 C--O 1.222 -0.624 0 C-N-CA 120.792 -0.718 . . . . 50.0 114.881 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.57 142.74 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -142.01 146.85 36.01 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 122.432 0.293 . . . . 50.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.32 109.17 18.8 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.488 -0.758 . . . . 50.0 111.411 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.96 -38.27 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.225 -0.898 . . . . 50.0 110.872 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.28 -29.04 19.48 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.692 0.997 . . . . 50.0 113.692 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -98.93 18.44 17.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.943 0.401 . . . . 50.0 110.715 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.414 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 10.9 p90 -48.36 159.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.367 1.617 . . . . 50.0 115.367 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.0 t -78.26 115.35 17.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 50.0 111.676 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 61.6 p -79.18 -2.47 41.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.657 -0.702 . . . . 25.0 109.495 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -107.06 19.36 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.42 0.688 . . . . 25.0 110.037 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.9 mp 61.98 -172.06 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.192 -0.913 . . . . 50.0 111.557 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -36.82 85.5 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.466 1.654 . . . . 50.0 115.466 -174.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -160.43 26.79 0.31 Allowed Glycine 0 C--O 1.224 -0.526 0 C-N-CA 119.801 -1.19 . . . . 25.0 114.785 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -93.82 51.87 1.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 25.0 109.829 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.0 m -147.97 164.84 32.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.634 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 53.64 44.66 29.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.036 0.935 . . . . 25.0 112.485 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 C--O 1.251 1.153 0 CA-C-N 114.823 -1.081 . . . . 25.0 109.626 178.78 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.529 0 N-CA-C 110.797 -0.921 . . . . 25.0 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.3 p -95.6 -142.05 0.26 Allowed 'General case' 0 C--N 1.323 -0.551 1 N-CA-C 98.191 -4.744 . . . . 25.0 98.191 160.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 4.4 p -66.1 -28.17 68.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.949 0.88 . . . . 25.0 109.645 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.87 148.58 10.57 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 CA-C-O 122.018 0.913 . . . . 50.0 111.504 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.4 t -96.78 164.62 12.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.401 -0.818 . . . . 25.0 109.705 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -29.14 67.13 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.231 -0.655 . . . . 50.0 109.231 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -77.95 -39.63 42.0 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 109.356 -0.609 . . . . 50.0 109.356 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.408 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.6 tp60 -59.49 -41.42 89.81 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.337 0.398 . . . . 50.0 110.615 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.4 ptp -74.04 -21.16 60.06 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 119.956 -0.698 . . . . 50.0 109.192 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.35 -34.99 31.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.95 -0.3 . . . . 50.0 111.642 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -84.34 -35.43 23.25 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.495 -0.482 . . . . 50.0 109.826 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -72.88 -22.02 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.21 0.819 . . . . 50.0 113.21 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -62.92 -19.55 64.34 Favored 'General case' 0 C--O 1.201 -1.478 0 O-C-N 121.195 -0.94 . . . . 50.0 108.65 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.43 63.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.039 0.836 . . . . 25.0 110.283 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.6 t -63.75 -13.71 46.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.975 0.417 . . . . 50.0 110.935 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -23.7 47.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.001 1.111 . . . . 50.0 114.001 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -2.22 12.26 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 120.693 0.282 . . . . 50.0 111.517 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -56.97 6.9 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.696 0.284 . . . . 50.0 111.037 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.12 5.52 35.15 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.366 -0.379 . . . . 50.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -58.06 103.18 0.13 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.935 0.874 . . . . 50.0 111.158 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.557 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 27.2 mtt180 -60.07 -33.18 71.71 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 113.894 -1.503 . . . . 50.0 113.386 -172.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -115.56 -3.23 12.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.059 -0.519 . . . . 50.0 110.225 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.7 t60 61.04 33.29 19.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.465 1.283 . . . . 25.0 114.465 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 46.7 p -69.47 -11.09 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.35 0.66 . . . . 50.0 112.704 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.39 61.72 Favored Glycine 0 CA--C 1.51 -0.266 0 N-CA-C 108.342 -1.903 . . . . 50.0 108.342 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.5 p -154.32 136.41 14.72 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.032 -1.084 . . . . 25.0 108.583 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.36 126.27 38.4 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 108.279 -1.008 . . . . 50.0 108.279 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.09 -167.55 35.86 Favored Glycine 0 C--O 1.195 -2.32 0 N-CA-C 108.961 -1.655 . . . . 50.0 108.961 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.49 -60.62 0.21 Allowed 'Trans proline' 0 C--N 1.329 -0.497 0 CA-C-N 120.808 2.304 . . . . 50.0 113.933 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.48 -16.81 64.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.817 0.818 . . . . 50.0 110.644 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.557 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 15.6 mt-10 -87.06 -45.62 10.56 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.036 -0.529 . . . . 50.0 110.331 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -58.8 -39.44 81.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.713 0.805 . . . . 50.0 111.713 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -24.99 67.91 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 115.964 -0.562 . . . . 50.0 110.607 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -33.33 21.84 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.16 -44.83 94.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.195 0.998 . . . . 50.0 109.368 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.91 -18.88 61.78 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.202 1.927 . . . . 50.0 116.202 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.24 -37.88 79.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.833 -0.802 . . . . 50.0 108.833 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 32.1 m -72.64 -12.49 61.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.59 -18.98 17.08 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 116.43 -0.35 . . . . 50.0 110.484 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.59 52.49 3.34 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 118.79 -1.672 . . . . 25.0 109.892 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 163.48 3.19 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 116.42 2.008 . . . . 50.0 116.42 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -90.89 13.01 17.68 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.068 0.937 . . . . 25.0 111.018 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.21 174.91 10.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 N-CA-C 106.802 -1.555 . . . . 50.0 106.802 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.26 -168.04 19.21 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.59 -1.404 . . . . 50.0 109.59 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 56.5 3.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.894 0.854 . . . . 25.0 109.743 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . 0.46 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 14.6 t70 -126.5 145.0 51.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 105.043 -2.206 . . . . 75.0 105.043 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 63.1 Cg_endo -63.87 -21.21 69.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 121.426 1.417 . . . . 50.0 113.575 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -81.06 -41.68 22.22 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.354 -1.35 . . . . 50.0 107.354 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.42 -30.29 75.03 Favored Glycine 0 C--O 1.205 -1.7 0 C-N-CA 120.297 -0.954 . . . . 50.0 111.955 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.71 -28.17 68.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.117 0.958 . . . . 50.0 110.393 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.42 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.51 -34.75 70.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.475 0.655 . . . . 50.0 110.286 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.86 -1.163 . . . . 50.0 107.86 174.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.02 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.806 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -59.89 -41.48 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.631 -0.878 . . . . 75.0 108.631 173.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.1 mt -74.42 -39.95 48.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 109.31 -0.626 . . . . 50.0 109.31 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -26.69 37.42 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.553 0.692 . . . . 50.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 19.3 t -77.98 -29.42 49.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 50.0 112.089 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.5 pt -90.58 -23.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.072 0.396 . . . . 50.0 111.821 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.4 23.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.482 1.134 . . . . 50.0 109.347 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -124.83 60.27 25.93 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 114.34 -1.3 . . . . 25.0 107.863 169.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.1 -6.71 19.64 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 118.165 -0.756 . . . . 50.0 114.049 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -102.86 -0.54 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.507 -0.923 . . . . 50.0 108.507 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 803' ' ' ARG . 0.0 OUTLIER 54.13 40.42 31.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.22 1.008 . . . . 50.0 113.695 178.397 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.61 -8.22 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.94 -1.027 . . . . 50.0 110.501 177.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.53 22.16 62.85 Favored Glycine 0 CA--C 1.517 0.159 0 C-N-CA 121.131 -0.557 . . . . 50.0 113.458 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.79 154.05 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 50.0 108.981 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 48.5 t -95.54 123.76 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.547 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.0 OUTLIER -106.56 169.82 8.3 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.364 -177.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.68 -43.32 47.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.188 1.181 . . . . 50.0 114.188 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.547 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.3 OUTLIER -74.25 -17.94 60.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.214 0.53 . . . . 50.0 110.532 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.58 -37.58 19.41 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.105 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.402 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 63.2 m-85 -59.24 -32.22 69.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 50.0 111.249 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.1 mm -62.75 -32.69 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.916 0.865 . . . . 50.0 110.365 -175.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.16 -39.82 57.18 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 114.588 -1.187 . . . . 50.0 111.207 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.39 -43.29 23.69 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 120.847 0.356 . . . . 50.0 110.828 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.75 37.51 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.127 1.529 . . . . 50.0 115.127 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.5 t -78.42 -19.75 52.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.248 -1.533 . . . . 50.0 111.38 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -75.06 -21.42 59.02 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.507 -0.315 . . . . 50.0 110.365 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.46 ' HB3' HE21 ' A' ' 856' ' ' GLN . 3.2 tp10 -49.74 -22.44 1.39 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.346 1.458 . . . . 50.0 113.546 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.3 p -75.27 8.47 2.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -87.05 -127.77 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -154.65 150.0 27.19 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 105.52 -2.03 . . . . 50.0 105.52 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.73 170.18 21.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.041 1.497 . . . . 25.0 115.041 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -86.66 -37.07 18.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.184 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.5 p -64.16 -21.39 66.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.562 0.745 . . . . 25.0 110.158 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -54.95 -27.19 41.7 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.619 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.54 -36.9 74.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.796 0.807 . . . . 50.0 110.909 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -71.85 -43.0 66.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.802 -0.636 . . . . 50.0 111.926 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.7 p -74.23 -32.84 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.2 -0.6 . . . . 50.0 110.207 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.33 -19.03 65.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.897 -0.502 . . . . 75.0 111.953 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.62 65.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.91 -0.493 . . . . 25.0 110.605 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.9 m -64.94 -22.74 67.05 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.636 0.606 . . . . 50.0 112.636 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -65.21 -22.94 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.85 -0.531 . . . . 75.0 110.932 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.04 -34.67 75.59 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.657 -0.652 . . . . 50.0 109.75 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.0 -38.99 44.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.307 -1.368 . . . . 50.0 107.307 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.33 90.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.448 -0.796 . . . . 75.0 110.354 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.63 78.16 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.722 0.772 . . . . 25.0 110.376 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 84.79 -99.13 2.27 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -114.97 -1.23 13.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.56 0.68 . . . . 25.0 112.384 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -87.74 155.5 19.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.504 -0.924 . . . . 50.0 108.504 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -90.49 0.67 57.23 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 113.913 1.079 . . . . 50.0 113.913 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -146.44 161.67 39.9 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 104.615 -2.365 . . . . 50.0 104.615 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.464 HG13 ' HB2' ' A' ' 847' ' ' GLU . 2.9 tp -114.08 148.62 16.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.117 -1.808 . . . . 50.0 106.117 175.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 55.7 p -87.59 154.83 20.3 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.4 mtt -57.62 -34.99 69.89 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.989 -0.745 . . . . 50.0 108.989 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -63.87 -35.73 81.59 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.585 -0.734 . . . . 50.0 112.377 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.464 ' HB2' HG13 ' A' ' 843' ' ' ILE . 16.2 mt-10 -68.51 -36.9 79.51 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.136 -0.353 . . . . 50.0 110.587 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.36 -41.89 75.95 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 108.72 -0.845 . . . . 50.0 108.72 175.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -75.38 14.21 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.058 0.762 . . . . 50.0 113.058 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -113.02 -34.29 5.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.386 -0.968 . . . . 50.0 108.386 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.95 -24.44 20.15 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 89.91 42.54 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.232 -0.44 . . . . 50.0 110.887 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.37 -34.69 81.74 Favored 'Trans proline' 0 CA--C 1.572 2.379 0 N-CA-C 117.613 2.12 . . . . 25.0 117.613 164.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 41.0 Cg_endo -82.47 -168.73 0.63 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 N-CA-C 116.552 1.712 . . . . 50.0 116.552 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.24 -16.61 22.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.787 -1.097 . . . . 50.0 112.845 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 819' ' ' GLU . 6.8 mp0 -58.83 -31.63 68.66 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.517 -0.739 . . . . 75.0 110.303 177.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.94 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.501 -0.48 . . . . 25.0 111.577 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.47 -32.37 62.55 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.777 0.658 . . . . 50.0 112.777 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -49.76 72.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.708 -0.849 . . . . 50.0 108.708 172.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 94.8 m -64.36 -43.77 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.54 -42.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.222 0.534 . . . . 50.0 110.593 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.86 89.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.693 -0.685 . . . . 25.0 112.577 -174.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -16.12 34.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.388 0.514 . . . . 50.0 112.388 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 7.7 ttm -72.67 157.37 37.67 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.713 -0.617 . . . . 50.0 110.124 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.53 131.05 86.65 Favored Pre-proline 0 C--O 1.221 -0.442 0 O-C-N 121.524 -0.735 . . . . 25.0 109.782 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.28 89.39 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.289 2.659 . . . . 50.0 113.433 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -93.31 97.96 10.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.032 -1.099 . . . . 50.0 108.032 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 46.1 p -144.17 77.93 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.851 0.834 . . . . 25.0 110.42 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -94.13 175.41 34.94 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 108.505 -1.838 . . . . 50.0 108.505 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.26 -19.22 29.56 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.08 1.853 . . . . 50.0 112.552 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.2 -7.78 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.896 1.278 . . . . 75.0 108.7 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.0 t -104.99 -165.28 1.12 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.348 -1.297 . . . . 50.0 109.135 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.73 155.75 66.01 Favored Pre-proline 0 CA--C 1.501 -0.935 0 N-CA-C 106.277 -1.749 . . . . 50.0 106.277 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.29 0.5 8.44 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 N-CA-C 113.893 0.69 . . . . 50.0 113.893 -174.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -121.64 39.55 2.32 Favored Glycine 0 C--O 1.222 -0.611 0 CA-C-O 119.391 -0.672 . . . . 50.0 113.214 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.95 140.5 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 3.7 mt -141.92 149.56 40.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.197 -0.297 . . . . 50.0 110.197 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.07 110.97 21.62 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.767 -0.773 . . . . 50.0 111.136 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -67.5 -38.0 83.66 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.342 -0.844 . . . . 50.0 111.598 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.2 -25.73 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.411 0.893 . . . . 50.0 113.411 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.0 t -104.14 19.42 20.16 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.674 0.273 . . . . 50.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -43.68 150.88 0.22 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.543 1.312 . . . . 50.0 114.543 177.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 885' ' ' ALA . 11.1 m -67.84 128.96 38.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.578 -0.737 . . . . 50.0 112.413 -173.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.6 t -77.68 12.07 1.83 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.514 0.673 . . . . 25.0 110.777 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . 0.409 ' H ' ' C ' ' A' ' 883' ' ' SER . . . -134.84 156.81 48.25 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.285 -1.376 . . . . 25.0 107.285 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.04 171.03 10.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.904 -0.589 . . . . 50.0 110.04 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -65.18 50.12 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 116.36 1.985 . . . . 50.0 116.36 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -70.7 155.04 52.75 Favored Glycine 0 CA--C 1.52 0.393 0 O-C-N 121.56 -0.712 . . . . 25.0 111.391 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.82 139.0 57.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.968 0.413 . . . . 25.0 112.081 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.9 m -149.76 142.13 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.019 -1.104 . . . . 25.0 108.019 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -161.08 161.34 31.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 115.821 -2.038 . . . . 25.0 113.411 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 118.755 -1.025 . . . . 25.0 111.447 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.4 m -112.24 8.64 19.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.147 0.974 . . . . 25.0 113.293 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -30.37 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.855 0.836 . . . . 25.0 111.778 -177.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.82 149.93 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.27 -0.877 . . . . 50.0 110.204 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.0 p -97.42 164.98 12.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -25.52 67.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 50.0 111.051 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.74 -36.3 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.938 -0.305 . . . . 50.0 110.709 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -61.44 -41.01 96.53 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.262 0.553 . . . . 50.0 110.22 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -73.63 -20.94 60.44 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.333 -0.618 . . . . 50.0 109.333 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -32.94 24.2 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.725 -0.39 . . . . 50.0 110.732 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -36.96 23.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.94 -24.24 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.561 0.949 . . . . 50.0 113.561 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -62.36 -19.6 63.54 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 108.874 -0.788 . . . . 50.0 108.874 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.14 63.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.192 0.906 . . . . 25.0 110.638 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.3 t -64.09 -14.53 55.31 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.103 -0.373 . . . . 50.0 110.875 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -21.48 29.08 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.326 1.232 . . . . 50.0 114.326 172.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -0.31 10.02 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.658 0.266 . . . . 50.0 111.586 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.6 -54.56 8.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.977 0.417 . . . . 50.0 111.021 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . 0.408 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.9 m-85 -104.05 4.04 33.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.382 -0.372 . . . . 50.0 111.343 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -58.37 103.47 0.15 Allowed 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.777 0.799 . . . . 50.0 111.634 -179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.516 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 56.9 mtt180 -57.95 -32.12 67.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 114.353 -1.294 . . . . 50.0 113.674 -173.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -118.23 1.58 11.9 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.519 0.512 . . . . 75.0 111.197 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 54.82 34.31 21.68 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.1 p -69.48 -8.82 50.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.229 0.825 . . . . 50.0 113.229 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 15.51 65.26 Favored Glycine 0 CA--C 1.51 -0.258 0 N-CA-C 108.615 -1.794 . . . . 50.0 108.615 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -154.65 136.32 14.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.101 -1.05 . . . . 25.0 109.104 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.05 126.29 41.18 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.93 -168.22 39.15 Favored Glycine 0 C--O 1.195 -2.322 0 N-CA-C 108.913 -1.675 . . . . 50.0 108.913 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.76 -60.53 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.478 0 CA-C-N 121.082 2.441 . . . . 50.0 114.471 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -16.86 64.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.624 0.726 . . . . 50.0 110.355 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.516 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 14.8 mt-10 -85.74 -46.2 10.92 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.931 176.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -59.06 -40.1 84.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.071 0.949 . . . . 50.0 111.489 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.91 66.41 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.87 -0.605 . . . . 50.0 111.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.63 -34.31 21.41 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . 0.408 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 50.1 t -61.71 -46.05 91.33 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.177 0.989 . . . . 50.0 109.697 176.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.09 -18.73 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 116.153 1.909 . . . . 50.0 116.153 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.87 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.818 -0.808 . . . . 50.0 108.818 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 44.4 m -76.33 -6.88 53.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.0 -14.25 16.55 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.985 -0.376 . . . . 50.0 109.985 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.26 47.13 6.23 Favored Glycine 0 C--O 1.219 -0.838 0 C-N-CA 118.65 -1.738 . . . . 25.0 110.302 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.32 160.29 1.17 Allowed 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 117.06 2.244 . . . . 50.0 117.06 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -93.31 20.92 6.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.712 0.768 . . . . 25.0 111.063 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.82 172.64 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 106.542 -1.651 . . . . 50.0 106.542 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 785' ' ' ASP . . . 104.21 167.46 24.87 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 121.346 -0.454 . . . . 75.0 112.313 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 62.88 -6.03 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 783' ' ' GLY . 0.0 OUTLIER -141.89 158.8 61.46 Favored Pre-proline 0 C--N 1.317 -0.841 0 C-N-CA 123.304 0.642 . . . . 50.0 110.081 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.77 -20.18 17.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 N-CA-C 114.746 1.018 . . . . 50.0 114.746 -176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -76.55 -33.15 58.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.28 73.07 Favored Glycine 0 C--O 1.207 -1.563 0 C-N-CA 120.701 -0.762 . . . . 50.0 112.628 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.54 -25.15 65.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.433 1.117 . . . . 50.0 110.802 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.93 -36.68 80.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.962 . . . . 50.0 109.922 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.409 ' HA ' HD11 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -61.32 -41.77 97.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 175.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.21 74.58 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 25.0 111.426 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -41.53 99.53 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 792' ' ' PHE . 14.8 mt -68.03 -42.31 85.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 N-CA-C 108.692 -0.855 . . . . 50.0 108.692 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -26.98 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.128 0.489 . . . . 50.0 111.466 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -79.42 -30.9 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 50.0 112.053 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -88.45 -23.55 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.598 -0.689 . . . . 50.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 29.6 m -91.93 24.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 122.122 0.963 . . . . 50.0 109.413 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -120.71 62.75 10.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.665 -1.152 . . . . 25.0 109.47 168.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -69.62 -1.86 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 N-CA-C 114.557 0.945 . . . . 50.0 114.557 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -113.32 -1.3 14.29 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.846 -0.534 . . . . 50.0 109.625 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 55.63 41.78 30.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.177 0.991 . . . . 50.0 112.851 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.4 -7.19 16.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 50.0 111.866 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.07 65.25 Favored Glycine 0 N--CA 1.459 0.2 0 C-N-CA 121.137 -0.554 . . . . 50.0 113.801 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.44 152.13 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.426 -0.583 . . . . 50.0 109.426 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 47.3 t -90.31 125.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.0 -0.741 . . . . 50.0 109.0 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.5 p -106.09 166.86 10.2 Favored 'General case' 0 C--O 1.204 -1.316 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.833 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -51.04 -42.69 60.64 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.547 0.943 . . . . 50.0 113.547 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.42 -17.1 60.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.134 0.492 . . . . 50.0 110.447 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.77 -36.48 17.28 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.539 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.94 -32.74 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 50.0 110.548 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.86 -32.78 53.11 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 115.224 -0.898 . . . . 50.0 110.998 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.86 -41.86 71.33 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.326 -0.852 . . . . 50.0 110.966 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.23 -39.76 59.69 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.52 0.676 . . . . 50.0 110.503 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -28.71 66.34 Favored 'General case' 0 C--O 1.202 -1.442 0 O-C-N 121.525 -0.734 . . . . 50.0 112.802 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.0 t -84.88 -18.82 33.58 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.373 -1.455 . . . . 50.0 110.394 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -74.24 -19.86 60.37 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.079 -0.509 . . . . 50.0 111.03 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.05 -20.72 1.51 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.64 1.576 . . . . 50.0 114.22 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 60.6 p -70.42 1.97 4.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -108.55 132.06 54.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.607 0.363 . . . . 25.0 110.293 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.33 145.42 53.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.071 -0.513 . . . . 50.0 111.797 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.05 175.96 9.33 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -84.99 -37.84 19.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.59 0.709 . . . . 25.0 110.567 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 1.2 p -65.65 -18.45 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.932 0.893 . . . . 25.0 109.894 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.49 -20.21 59.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.597 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.54 -36.45 71.64 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.75 0.786 . . . . 50.0 110.661 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.05 -41.18 77.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 50.0 111.607 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.13 -33.37 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.388 -0.525 . . . . 50.0 110.295 -175.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 77.5 mtm -69.21 -16.69 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.818 -0.552 . . . . 75.0 110.784 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.47 66.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 10.5 m -63.79 -22.04 66.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.044 0.757 . . . . 50.0 113.044 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.14 -26.55 68.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.783 -0.573 . . . . 50.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.05 63.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.841 -0.799 . . . . 50.0 108.841 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.19 -42.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.26 -1.015 . . . . 50.0 108.26 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.66 -47.39 83.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 50.0 110.365 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.36 96.6 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.126 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.47 -83.47 1.33 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.077 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -111.48 -27.62 8.52 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 120.922 -1.34 . . . . 25.0 113.644 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . 1.563 ' CD ' ' HD3' ' A' ' 840' ' ' LYS . 6.2 pttm -80.81 160.73 24.75 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.149 1.452 . . . . 75.0 109.683 -164.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -86.19 2.77 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 113.524 -1.671 . . . . 50.0 115.069 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -146.32 166.86 25.05 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 105.05 -2.204 . . . . 50.0 105.05 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.4 tp -119.3 148.6 22.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.66 -1.608 . . . . 50.0 106.66 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 80.7 p -85.81 151.06 24.11 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -55.82 -32.41 63.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 50.0 110.451 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.57 -27.23 65.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.147 0.795 . . . . 50.0 113.147 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.84 -36.87 64.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.743 0.306 . . . . 50.0 110.762 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.58 -38.02 83.46 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.476 -1.305 . . . . 50.0 107.476 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -76.31 10.61 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.359 -0.837 . . . . 50.0 112.292 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -105.9 -37.79 6.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.071 -0.714 . . . . 50.0 109.071 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -89.39 -29.49 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.475 -0.784 . . . . 50.0 109.682 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.54 91.16 33.05 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.132 0.419 . . . . 50.0 112.132 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.68 -34.01 89.18 Favored 'Trans proline' 0 CA--C 1.575 2.534 0 N-CA-C 118.067 2.295 . . . . 25.0 118.067 164.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.26 -167.72 0.52 Allowed 'Trans proline' 0 C--N 1.364 1.375 0 N-CA-C 117.185 1.956 . . . . 50.0 117.185 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -50.19 -26.97 5.16 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.103 -1.408 . . . . 50.0 114.0 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.61 -31.53 64.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.457 -0.777 . . . . 75.0 112.37 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.47 -48.41 75.33 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 120.271 -0.571 . . . . 25.0 111.05 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -74.75 -31.34 61.77 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.622 -0.431 . . . . 50.0 111.873 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -51.61 65.63 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.279 -1.008 . . . . 50.0 108.279 170.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.11 -43.99 93.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.326 -0.397 . . . . 50.0 110.441 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.7 mt -58.77 -41.52 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.907 0.384 . . . . 50.0 110.492 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.52 93.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.632 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -82.3 -20.33 37.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.786 0.326 . . . . 50.0 111.531 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.502 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.1 ttm -74.22 152.05 39.83 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.513 0.56 . . . . 50.0 112.513 -175.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -68.06 131.57 92.2 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 120.276 -0.569 . . . . 25.0 110.441 -173.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.9 88.93 0.89 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.434 3.423 . . . . 50.0 114.813 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -93.82 98.67 11.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.875 0.845 . . . . 50.0 109.665 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 63.2 p -138.84 146.49 41.3 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 167.64 177.6 39.17 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.633 -2.187 . . . . 50.0 107.633 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.3 -20.56 18.51 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.984 2.456 . . . . 50.0 113.364 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -87.65 -10.37 51.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.663 1.185 . . . . 50.0 108.244 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 75.4 m -118.83 -173.57 2.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.141 -1.39 . . . . 50.0 108.564 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.44 156.53 45.77 Favored Pre-proline 0 CA--C 1.504 -0.795 0 N-CA-C 106.02 -1.844 . . . . 50.0 106.02 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.26 5.03 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 N-CA-C 114.157 0.791 . . . . 50.0 114.157 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.46 45.7 1.11 Allowed Glycine 0 C--O 1.224 -0.47 0 CA-C-O 119.43 -0.65 . . . . 50.0 111.816 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.76 140.14 47.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -141.92 149.14 39.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.784 -0.189 . . . . 50.0 110.684 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.07 108.81 18.44 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.105 -0.638 . . . . 50.0 111.59 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -65.97 -33.29 75.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.036 -0.984 . . . . 50.0 112.574 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -95.78 -24.68 16.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.891 1.071 . . . . 50.0 113.891 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.5 t -100.14 14.41 30.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.198 0.523 . . . . 50.0 110.269 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.1 OUTLIER -50.55 154.13 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.87 1.433 . . . . 50.0 114.87 179.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.6 t -89.23 113.03 24.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.728 1.01 . . . . 50.0 113.728 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.0 p -75.51 -11.8 60.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 25.0 109.783 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.49 12.73 24.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.379 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 3.8 mp 66.78 177.69 0.23 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.445 1.09 . . . . 50.0 110.933 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -74.0 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.946 1.091 . . . . 50.0 113.946 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 81.74 119.5 0.51 Allowed Glycine 0 CA--C 1.523 0.584 0 CA-C-O 121.629 0.572 . . . . 25.0 113.569 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -88.55 128.93 35.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.772 -0.84 . . . . 25.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 67.9 m -151.97 151.8 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -150.65 109.65 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.252 1.229 0 O-C-N 124.328 1.017 . . . . 25.0 112.851 -179.132 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 CA-C-O 119.164 -0.798 . . . . 25.0 111.608 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 59.5 p -96.45 2.04 52.18 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.1 p -69.21 -31.37 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.67 0.747 . . . . 25.0 110.752 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.82 148.81 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.592 0.711 . . . . 50.0 111.554 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.9 t -92.91 159.18 15.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.79 -30.04 71.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 50.0 110.105 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.99 -36.42 36.01 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.495 -0.482 . . . . 50.0 109.893 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -61.34 -40.92 96.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 50.0 111.175 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.5 ptp -74.78 -21.01 59.56 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.99 -39.77 33.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.721 -0.218 . . . . 50.0 111.172 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.46 -36.69 52.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.844 -0.743 . . . . 50.0 109.305 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -73.32 -22.34 60.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.826 1.047 . . . . 50.0 113.826 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -19.62 65.11 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.271 -0.893 . . . . 50.0 108.895 175.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.6 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 118.87 0.759 . . . . 25.0 110.555 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.1 t -64.62 -13.87 55.48 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.754 0.311 . . . . 50.0 110.688 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -21.5 44.3 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.976 1.102 . . . . 50.0 113.976 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 5.19 9.29 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 120.879 0.371 . . . . 50.0 111.105 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -77.15 -53.02 8.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.712 0.291 . . . . 50.0 111.521 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -104.07 3.67 33.48 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.468 -0.333 . . . . 50.0 111.896 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -56.02 104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.152 0.977 . . . . 50.0 112.784 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.467 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -54.41 -32.04 56.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.101 -1.409 . . . . 50.0 113.129 -173.564 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -122.19 1.11 9.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.752 -0.658 . . . . 75.0 111.857 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 79.1 m80 54.46 35.23 22.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 p -71.65 -9.44 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.577 0.751 . . . . 50.0 112.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.18 14.55 64.06 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.085 -1.606 . . . . 50.0 109.085 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.74 136.39 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.333 -0.933 . . . . 25.0 108.889 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -95.02 126.77 40.59 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 107.81 -1.182 . . . . 50.0 107.81 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.51 -166.52 38.74 Favored Glycine 0 C--O 1.198 -2.115 0 N-CA-C 109.194 -1.562 . . . . 50.0 109.194 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.26 -60.38 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 120.709 2.254 . . . . 50.0 114.223 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -14.53 63.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.807 0.813 . . . . 50.0 110.889 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.467 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 14.5 mt-10 -88.71 -44.76 10.34 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.469 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.49 -38.84 81.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.604 0.762 . . . . 50.0 111.565 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -22.9 67.08 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.485 -0.325 . . . . 50.0 111.334 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.61 20.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 121.111 0.481 . . . . 25.0 109.762 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.54 -44.15 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.161 0.981 . . . . 50.0 109.918 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 25.5 mt -63.69 -18.86 64.43 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 116.005 1.854 . . . . 50.0 116.005 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.4 -39.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.1 m -76.63 -5.91 49.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.778 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.41 -13.86 15.51 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 123.332 0.395 . . . . 50.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 84.35 51.54 3.88 Favored Glycine 0 C--O 1.225 -0.459 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.278 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.97 160.89 16.83 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 117.26 2.319 . . . . 50.0 117.26 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.51 11.37 24.29 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.775 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.13 -177.73 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 CA-C-N 115.753 -0.658 . . . . 50.0 111.744 -174.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 102.23 133.32 8.01 Favored Glycine 0 C--O 1.222 -0.653 0 CA-C-N 116.02 -0.536 . . . . 50.0 114.249 170.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 61.16 13.49 4.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -123.91 143.95 43.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 106.982 -1.488 . . . . 50.0 106.982 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.95 -25.45 74.1 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 120.952 1.102 . . . . 50.0 113.977 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -87.25 -47.08 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 50.0 108.174 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.34 -33.9 87.62 Favored Glycine 0 C--O 1.206 -1.633 0 N-CA-C 115.011 0.764 . . . . 50.0 115.011 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.58 -23.95 66.27 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 118.97 1.385 . . . . 50.0 110.715 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.29 -38.34 30.96 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.64 -32.88 68.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.793 -0.64 . . . . 50.0 110.434 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -44.54 83.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.013 -1.106 . . . . 50.0 108.013 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.95 70.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.861 -0.335 . . . . 25.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.1 -38.63 91.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.491 -0.559 . . . . 50.0 109.491 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.11 -41.2 67.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.998 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -24.92 47.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 50.0 111.146 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.2 t -78.25 -28.47 47.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 50.0 112.169 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.1 pt -91.77 -23.56 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.756 -0.59 . . . . 50.0 112.163 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.3 m -92.19 24.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 122.174 0.988 . . . . 50.0 109.825 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -122.69 62.49 17.81 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.355 171.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.0 -9.81 26.89 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.647 0.98 . . . . 50.0 114.647 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -109.46 -1.33 18.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.678 0.275 . . . . 50.0 110.403 -175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 56.58 41.06 29.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.66 0.784 . . . . 50.0 112.638 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 -8.48 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.756 -1.111 . . . . 50.0 110.325 177.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.79 22.75 65.78 Favored Glycine 0 C--O 1.234 0.118 0 C-N-CA 121.102 -0.57 . . . . 50.0 113.83 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.9 151.93 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 41.1 t -90.56 125.18 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 2.0 p -106.67 167.65 9.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.586 -0.733 . . . . 25.0 111.735 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -50.62 -43.08 56.83 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 177.648 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.05 -16.09 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 50.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -88.57 -36.14 16.51 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.262 0.553 . . . . 25.0 111.667 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.406 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 62.6 m-85 -59.24 -31.91 69.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.538 0.685 . . . . 50.0 110.59 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.6 mm -62.01 -31.96 52.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.388 -0.824 . . . . 50.0 110.657 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -54.43 -37.05 64.67 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.126 -0.943 . . . . 50.0 111.193 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.67 -41.85 23.04 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-O 120.737 0.303 . . . . 50.0 110.929 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -30.18 59.25 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 112.991 0.738 . . . . 50.0 112.991 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 2.1 t -79.15 -16.85 56.03 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.73 -1.231 . . . . 50.0 111.928 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -76.64 -21.45 55.45 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 116.224 -0.444 . . . . 50.0 110.384 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -52.06 -21.4 3.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.905 1.282 . . . . 50.0 113.055 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 75.9 p -70.26 -3.19 15.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.58 152.65 23.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.08 142.83 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.064 -0.516 . . . . 50.0 112.11 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.86 159.17 42.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 111.602 0.223 . . . . 25.0 111.602 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.61 -48.1 67.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.177 0.989 . . . . 25.0 110.602 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.3 p -65.59 -15.56 62.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.935 -1.029 . . . . 25.0 112.3 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.33 -21.01 66.0 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.59 -37.14 70.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.813 0.816 . . . . 50.0 110.683 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -68.57 -41.18 80.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.654 -0.703 . . . . 50.0 112.202 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.2 p -81.13 -32.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.535 -0.466 . . . . 50.0 109.833 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.5 mtm -70.25 -12.38 61.55 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.919 -0.488 . . . . 75.0 111.625 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.78 -22.5 62.24 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.043 -0.41 . . . . 25.0 110.04 173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.7 p -59.8 -25.99 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.154 0.798 . . . . 50.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -62.54 -26.7 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.394 0.543 . . . . 50.0 111.349 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -71.1 -33.91 70.6 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.593 -0.692 . . . . 50.0 109.754 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.76 -38.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.932 -1.136 . . . . 50.0 107.932 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.87 95.66 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.204 0.525 . . . . 50.0 110.089 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.27 85.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.071 0.938 . . . . 25.0 109.386 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.74 -83.64 1.35 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.562 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -114.98 -27.68 7.28 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -69.68 151.07 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.016 0.436 . . . . 50.0 110.595 -172.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -84.96 1.09 48.96 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.318 0.859 . . . . 50.0 113.318 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -147.47 161.13 41.7 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 105.565 -2.013 . . . . 50.0 105.565 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -113.06 149.88 15.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 105.841 -1.911 . . . . 50.0 105.841 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.5 p -90.05 154.43 19.81 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.02 -32.99 68.48 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 121.459 0.647 . . . . 50.0 109.416 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.14 -31.03 71.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 50.0 112.587 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.94 -38.31 64.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.099 -0.376 . . . . 50.0 110.587 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.87 -40.24 91.46 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.3 mtp-105 -76.26 16.16 0.49 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.651 0.611 . . . . 50.0 112.651 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -118.39 -38.23 3.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 109.408 -0.59 . . . . 50.0 109.408 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -83.26 -26.63 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.374 -0.602 . . . . 50.0 109.374 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.58 91.45 41.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 122.65 0.38 . . . . 50.0 110.06 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -54.66 -33.54 80.06 Favored 'Trans proline' 0 CA--C 1.571 2.328 0 N-CA-C 117.518 2.084 . . . . 25.0 117.518 165.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -83.08 -169.85 0.8 Allowed 'Trans proline' 0 C--N 1.364 1.382 0 N-CA-C 117.222 1.97 . . . . 50.0 117.222 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.35 -23.46 3.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 113.863 -1.517 . . . . 50.0 113.645 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.96 -31.16 64.71 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.589 -0.694 . . . . 75.0 112.124 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.3 -48.16 82.64 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.244 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.52 -31.41 57.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.341 0.497 . . . . 50.0 112.341 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -49.27 73.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 170.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.89 -42.65 90.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.451 -0.34 . . . . 50.0 110.917 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.9 mt -58.55 -41.6 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.051 0.453 . . . . 50.0 110.034 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.6 87.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.936 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -83.77 -15.22 49.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.92 0.391 . . . . 50.0 111.327 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.518 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.4 ttm -79.81 154.6 28.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.053 0.76 . . . . 50.0 113.053 -177.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.74 131.56 85.87 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.501 -0.479 . . . . 25.0 110.869 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.13 90.5 0.76 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 124.491 3.461 . . . . 50.0 114.477 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.61 0.719 . . . . 50.0 112.277 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.5 p -135.29 150.94 50.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.8 173.07 36.25 Favored Glycine 0 C--O 1.226 -0.359 0 N-CA-C 109.21 -1.556 . . . . 50.0 109.21 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -73.55 -23.64 16.95 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.122 2.548 . . . . 50.0 113.61 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.17 -21.34 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.321 1.049 . . . . 50.0 108.543 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 73.2 m -97.24 178.98 5.06 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.068 -1.423 . . . . 50.0 109.086 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.36 158.08 36.33 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 105.619 -1.993 . . . . 50.0 105.619 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.09 4.76 3.02 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 N-CA-C 113.89 0.689 . . . . 50.0 113.89 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.75 54.62 0.77 Allowed Glycine 0 C--O 1.225 -0.419 0 N-CA-C 110.142 -1.183 . . . . 50.0 110.142 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 140.57 47.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.02 149.97 40.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.706 -0.224 . . . . 50.0 111.01 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.65 110.49 21.37 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.025 -0.67 . . . . 50.0 111.525 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.42 -30.42 68.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.1 -0.954 . . . . 50.0 112.225 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -98.22 -20.17 17.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.7 t -105.36 16.76 25.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.341 -0.614 . . . . 50.0 109.341 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 1.7 p90 -53.08 158.33 1.52 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.086 1.143 . . . . 50.0 114.086 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.3 t -88.31 112.82 23.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.144 0.794 . . . . 50.0 113.144 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 34.0 p -75.31 -8.65 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 25.0 109.853 172.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -99.06 15.07 27.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.072 0.549 . . . . 25.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.4 mp 65.29 179.19 0.19 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.312 1.007 . . . . 50.0 110.819 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -45.31 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.973 0.731 . . . . 50.0 112.973 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 65.1 -152.97 50.9 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.672 -0.971 . . . . 25.0 110.672 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -142.5 148.51 37.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 104.487 -2.412 . . . . 25.0 104.487 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 72.8 p -157.89 168.79 26.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -154.77 174.91 14.39 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 105.405 -2.072 . . . . 25.0 105.405 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.849 -1.072 . . . . 25.0 112.282 -177.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.223 -0.765 . . . . 25.0 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 19.9 m -94.06 -10.74 32.45 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.32 1.06 . . . . 25.0 113.081 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.1 p 57.14 -169.8 0.1 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.409 1.084 . . . . 25.0 111.749 -172.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 142.27 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.662 0.744 . . . . 50.0 109.507 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.551 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 29.2 t -89.81 157.92 17.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -24.42 67.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.747 -0.66 . . . . 50.0 109.46 173.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.32 -35.7 23.09 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 109.951 -0.388 . . . . 50.0 109.951 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.452 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 43.6 tp60 -62.87 -42.33 99.72 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 120.735 -0.386 . . . . 50.0 110.101 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 7.0 ptp -72.59 -21.07 61.19 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.895 -0.779 . . . . 50.0 108.895 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -40.51 35.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.7 -0.4 . . . . 50.0 110.88 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -78.96 -34.87 43.93 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.695 -0.802 . . . . 50.0 109.584 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -73.68 -21.7 60.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.487 -0.758 . . . . 50.0 112.585 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.15 -20.17 65.81 Favored 'General case' 0 C--O 1.203 -1.351 0 O-C-N 121.253 -0.905 . . . . 50.0 108.7 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.69 -21.3 62.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.832 0.742 . . . . 25.0 110.074 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -63.97 -14.24 52.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.78 0.324 . . . . 50.0 110.948 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -23.6 39.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.029 1.122 . . . . 50.0 114.029 171.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.19 -1.01 10.93 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.912 0.338 . . . . 50.0 111.912 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -70.34 -56.34 6.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.071 0.463 . . . . 50.0 111.223 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.0 4.1 34.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.497 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -56.48 104.53 0.15 Allowed 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 122.303 1.049 . . . . 50.0 112.665 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.486 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 38.8 ttp180 -50.97 -40.4 57.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.064 -1.88 . . . . 50.0 113.133 -176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.39 5.91 11.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.752 -0.658 . . . . 50.0 110.893 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 6.0 t60 57.78 34.62 24.64 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.878 0.847 . . . . 25.0 112.215 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.1 p -75.59 -8.5 56.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 50.0 112.311 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.35 13.92 67.24 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 108.913 -1.675 . . . . 50.0 108.913 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.6 p -154.5 136.35 14.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.022 -1.089 . . . . 25.0 108.221 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.45 127.11 40.15 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.113 -1.069 . . . . 50.0 108.113 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.31 -168.58 36.01 Favored Glycine 0 C--O 1.198 -2.136 0 N-CA-C 109.533 -1.427 . . . . 50.0 109.533 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.91 -57.63 0.5 Allowed 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-N 120.609 2.204 . . . . 50.0 113.663 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.14 -18.71 64.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.748 0.785 . . . . 50.0 110.493 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.486 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.3 mt-10 -88.3 -43.95 11.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.489 -0.778 . . . . 50.0 110.268 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -59.57 -40.5 87.56 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.269 0.628 . . . . 50.0 110.959 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -23.34 66.22 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.71 -0.677 . . . . 50.0 109.901 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.6 -33.7 21.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.59 -45.38 93.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.68 0.752 . . . . 50.0 109.48 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.36 -18.75 60.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 116.087 1.884 . . . . 50.0 116.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.85 -37.32 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.405 -0.961 . . . . 50.0 108.405 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 22.6 t -73.91 -6.92 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.496 -0.775 . . . . 25.0 112.224 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.15 -12.03 14.86 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.042 0.214 . . . . 50.0 110.975 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.5 43.14 8.67 Favored Glycine 0 C--O 1.221 -0.661 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.413 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.9 164.99 0.22 Allowed 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 118.401 2.741 . . . . 50.0 118.401 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -91.71 12.65 20.55 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.519 0.676 . . . . 25.0 111.593 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.14 168.63 23.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.515 -0.766 . . . . 50.0 110.431 -177.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.23 -164.4 11.83 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 109.898 -1.281 . . . . 50.0 109.898 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -87.75 15.09 7.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.39 165.23 45.67 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.94 -14.47 23.84 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.007 -2.196 . . . . 50.0 114.198 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -86.9 -46.6 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.482 -1.303 . . . . 50.0 107.482 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.07 -33.43 85.4 Favored Glycine 0 C--O 1.208 -1.484 0 C-N-CA 120.467 -0.873 . . . . 50.0 114.057 -175.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -66.38 -26.27 67.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 118.555 1.177 . . . . 50.0 110.7 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.98 -40.23 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.499 -0.75 . . . . 25.0 109.161 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.28 -34.77 70.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.665 -0.698 . . . . 50.0 110.157 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -43.56 87.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.989 -1.115 . . . . 50.0 107.989 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.576 -0.449 . . . . 25.0 111.877 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -62.61 -40.23 96.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.232 -0.655 . . . . 50.0 109.232 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.99 -41.31 68.41 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 N-CA-C 109.288 -0.634 . . . . 50.0 109.288 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -26.96 42.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.54 0.686 . . . . 50.0 110.646 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.8 t -77.3 -30.54 54.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.652 -0.704 . . . . 50.0 111.948 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.6 pt -90.66 -23.57 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.919 -0.488 . . . . 50.0 112.306 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.32 24.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 122.306 1.05 . . . . 50.0 109.922 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -121.56 61.14 11.46 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 114.648 -1.16 . . . . 25.0 109.305 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.51 -7.58 21.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 114.565 0.948 . . . . 50.0 114.565 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -107.51 -2.46 20.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 50.0 108.86 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 55.79 41.73 29.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.925 0.89 . . . . 50.0 113.305 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.97 -7.55 16.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.641 -1.163 . . . . 50.0 111.087 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.19 22.48 65.35 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.105 -0.569 . . . . 50.0 113.781 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.07 153.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.319 -0.993 . . . . 50.0 108.319 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.29 125.56 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.46 -0.57 . . . . 50.0 109.46 -175.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.3 p -105.56 167.73 9.56 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.631 -0.713 . . . . 25.0 111.814 -176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -42.82 61.15 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.703 1.001 . . . . 50.0 113.703 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.71 -16.95 60.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 50.0 110.556 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.33 -36.93 18.97 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 121.215 0.531 . . . . 25.0 111.366 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 64.7 m-85 -59.19 -34.24 71.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 50.0 111.441 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 9.9 mm -62.35 -31.65 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 CA-C-O 121.546 0.688 . . . . 50.0 110.371 -174.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -49.43 -47.5 48.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.925 -1.034 . . . . 50.0 110.881 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -73.0 -42.35 63.36 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.812 0.339 . . . . 50.0 110.91 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -29.65 51.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 113.937 1.088 . . . . 50.0 113.937 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -81.24 -19.75 42.48 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.634 -1.291 . . . . 50.0 110.762 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -73.27 -21.52 60.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.848 -0.427 . . . . 50.0 109.848 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.418 ' HB3' HE21 ' A' ' 856' ' ' GLN . 2.3 tp10 -53.97 -17.27 2.41 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.957 1.303 . . . . 50.0 113.106 -178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.6 p -75.05 -0.94 20.62 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.67 146.65 30.51 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.567 0.347 . . . . 25.0 110.98 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.97 143.66 57.8 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.346 0.498 . . . . 50.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.44 171.47 16.01 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.15 -37.35 22.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.408 0.623 . . . . 25.0 110.774 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -21.59 64.39 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.074 0.549 . . . . 25.0 110.382 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -65.9 -20.36 66.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.175 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.94 -34.88 73.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.826 0.822 . . . . 50.0 109.976 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.17 -40.99 86.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.649 -0.705 . . . . 50.0 111.807 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.52 -35.67 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.019 -0.734 . . . . 50.0 109.019 -175.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 39.6 ttp -69.71 -15.12 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 50.0 111.606 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.29 -19.4 8.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.593 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 94.7 p -52.04 -27.76 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.801 1.037 . . . . 50.0 113.801 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -22.75 67.07 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.554 1.07 . . . . 50.0 112.856 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -36.67 43.65 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.42 -42.84 84.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 50.0 109.31 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.09 -45.07 95.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.925 0.343 . . . . 50.0 111.925 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.99 81.88 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.758 0.789 . . . . 25.0 109.018 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.93 -98.02 1.8 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -173.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -124.37 2.5 8.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -69.41 151.08 46.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -80.19 1.4 28.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.924 1.453 . . . . 50.0 114.924 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -151.03 160.49 43.89 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 105.959 -1.867 . . . . 50.0 105.959 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -110.4 149.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 106.504 -1.665 . . . . 50.0 106.504 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 61.3 p -87.99 150.68 23.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 105.528 -2.027 . . . . 25.0 105.528 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -54.96 -35.34 64.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.533 0.683 . . . . 50.0 109.693 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -71.83 -22.38 61.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.803 1.038 . . . . 50.0 113.803 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.43 -37.02 77.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.963 -0.46 . . . . 50.0 109.821 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' A' ' 850' ' ' ARG . 32.8 mt -72.77 -37.96 67.47 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.738 -0.838 . . . . 50.0 108.738 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -80.57 33.35 0.31 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.328 0.651 . . . . 50.0 110.586 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 848' ' ' LEU . 34.3 ttm180 -121.46 -37.08 2.96 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 105.582 -2.007 . . . . 50.0 105.582 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.433 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 25.7 pt-20 -103.39 -17.77 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 113.948 -1.478 . . . . 50.0 108.762 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.433 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.1 mt -124.6 84.96 56.9 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.264 -0.425 . . . . 50.0 111.876 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -63.09 -22.22 73.18 Favored 'Trans proline' 0 CA--C 1.583 2.95 0 C-N-CA 114.144 -3.437 . . . . 25.0 118.466 164.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.551 ' HB3' ' H ' ' A' ' 744' ' ' SER . 35.0 Cg_endo -82.91 -166.42 0.38 Allowed 'Trans proline' 0 C--N 1.366 1.487 0 N-CA-C 116.802 1.808 . . . . 50.0 116.802 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.74 -32.22 13.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.182 -1.372 . . . . 50.0 114.659 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 819' ' ' GLU . 12.1 mp0 -55.34 -30.97 61.29 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.713 -0.221 . . . . 75.0 111.471 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.45 -51.33 58.02 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.39 -0.819 . . . . 25.0 111.554 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.92 -34.84 77.4 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.499 -0.48 . . . . 50.0 110.944 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -51.99 66.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.802 -0.635 . . . . 50.0 109.585 174.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.5 m -62.75 -44.11 97.06 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-O 120.489 0.185 . . . . 50.0 110.821 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 32.1 mt -61.4 -41.7 90.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 122.804 0.442 . . . . 50.0 111.142 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.45 86.86 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.901 -0.59 . . . . 25.0 111.356 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -10.18 58.92 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.948 -0.301 . . . . 50.0 111.607 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 0.3 OUTLIER -74.31 153.31 39.4 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.642 -0.661 . . . . 50.0 112.535 -178.423 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.52 137.32 80.7 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.028 -175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.99 91.77 1.17 Allowed 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 124.81 3.673 . . . . 50.0 115.328 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -92.02 104.32 16.73 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.496 0.665 . . . . 50.0 109.702 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 48.9 p -139.69 154.56 47.51 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.911 -0.493 . . . . 25.0 109.947 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 169.82 173.77 37.55 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 108.017 -2.033 . . . . 50.0 108.017 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.31 -21.51 19.9 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.876 2.384 . . . . 50.0 113.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.92 -9.61 33.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 124.39 1.076 . . . . 50.0 108.679 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 9.2 t -99.65 -172.09 2.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.465 -1.243 . . . . 50.0 107.87 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.42 156.36 49.16 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 106.08 -1.822 . . . . 50.0 106.08 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.61 3.96 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 N-CA-C 113.868 0.68 . . . . 50.0 113.868 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.46 47.83 0.99 Allowed Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.231 -0.76 . . . . 50.0 112.456 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.85 138.35 49.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.95 152.56 43.61 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.721 0.267 . . . . 50.0 111.721 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -89.11 107.72 19.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.42 0.628 . . . . 50.0 110.243 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.8 -32.89 70.12 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.926 -1.034 . . . . 50.0 112.0 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -91.45 -26.55 18.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.688 0.995 . . . . 50.0 113.688 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -103.09 17.22 24.59 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.183 0.516 . . . . 50.0 110.499 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.4 p90 -51.93 158.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 49.1 m -79.94 119.06 22.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 50.0 109.299 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 73.1 p -75.01 0.82 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.099 0.476 . . . . 25.0 111.369 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -107.31 -90.51 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.89 -0.596 . . . . 25.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 3.3 tp -155.71 172.41 18.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.432 -0.349 . . . . 50.0 110.895 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -64.98 -23.53 67.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.35 -0.841 . . . . 50.0 111.712 173.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 132.11 176.25 14.33 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.104 -0.798 . . . . 25.0 111.104 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.58 -31.31 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.883 0.473 . . . . 25.0 111.832 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 72.3 m -157.63 -105.05 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.402 0.281 . . . . 25.0 110.386 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -90.93 8.61 34.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--O 1.256 1.439 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 -178.662 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 N-CA-C 111.914 -0.474 . . . . 25.0 111.914 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 75.0 m -152.06 122.51 7.31 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 102.672 -3.084 . . . . 25.0 102.672 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 53.4 p -38.77 -97.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.712 2.486 . . . . 25.0 117.712 -165.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.34 147.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 121.269 -0.894 . . . . 50.0 110.893 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.427 ' HG ' ' HB2' ' A' ' 853' ' ' PRO . 76.6 p -97.35 164.65 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.223 0.535 . . . . 25.0 109.867 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -27.37 68.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.335 -0.393 . . . . 50.0 111.144 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.15 -34.92 23.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.827 -0.349 . . . . 50.0 110.298 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.68 -41.08 94.37 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.804 -0.358 . . . . 50.0 110.67 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.1 ptp -73.17 -21.18 60.74 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.084 -0.646 . . . . 50.0 109.273 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -30.21 24.81 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.629 -0.428 . . . . 50.0 111.579 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.0 -38.11 23.07 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.571 -0.851 . . . . 50.0 108.956 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 66.9 t80 -72.42 -22.42 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.488 0.922 . . . . 50.0 113.488 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -19.56 63.49 Favored 'General case' 0 C--O 1.197 -1.673 0 O-C-N 121.361 -0.837 . . . . 50.0 109.248 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.79 63.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.361 0.982 . . . . 25.0 110.719 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -13.7 57.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.925 -0.485 . . . . 50.0 110.613 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -23.62 50.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.391 0.886 . . . . 50.0 113.391 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -111.25 -14.93 13.74 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.934 0.346 . . . . 50.0 111.934 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -67.49 -49.25 64.37 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.07 0.767 . . . . 50.0 113.07 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . 0.49 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 11.3 m-85 -104.13 1.2 30.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 116.27 -0.423 . . . . 50.0 110.529 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -56.17 104.46 0.14 Allowed 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.525 1.155 . . . . 50.0 112.269 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.505 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 29.7 ttp180 -51.33 -42.37 61.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.483 -1.69 . . . . 50.0 112.242 -175.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.59 5.69 11.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.153 -0.931 . . . . 50.0 111.254 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 67.9 m80 56.0 34.37 23.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.0 p -70.75 -10.82 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.421 0.526 . . . . 50.0 112.421 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.06 15.35 62.88 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 108.159 -1.976 . . . . 50.0 108.159 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.58 136.4 14.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.004 -1.098 . . . . 25.0 108.292 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.8 127.45 39.55 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 108.09 -1.078 . . . . 50.0 108.09 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -78.35 -168.48 33.26 Favored Glycine 0 C--O 1.203 -1.81 0 N-CA-C 109.793 -1.323 . . . . 50.0 109.793 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -62.94 -55.78 0.73 Allowed 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 120.31 2.055 . . . . 50.0 113.964 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.61 -16.83 61.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 50.0 110.331 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.505 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.7 mt-10 -86.39 -45.06 11.53 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.587 -0.733 . . . . 50.0 110.085 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.82 -41.78 87.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 123.365 0.666 . . . . 50.0 111.041 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -24.13 67.44 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.53 -0.759 . . . . 50.0 110.63 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.38 23.98 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . 0.49 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.39 -46.36 88.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.032 0.92 . . . . 50.0 109.501 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 20.3 mt -59.97 -18.87 48.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 116.029 1.863 . . . . 50.0 116.029 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.14 -38.42 80.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.022 -0.733 . . . . 50.0 109.022 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -74.24 -8.82 57.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.615 . . . . 25.0 112.32 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.52 -17.35 15.23 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.125 0.266 . . . . 50.0 110.353 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.34 53.0 3.06 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 118.895 -1.621 . . . . 25.0 110.505 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.75 164.67 5.94 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 116.752 2.131 . . . . 50.0 116.752 178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -92.94 12.29 24.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.536 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.51 169.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.843 -0.617 . . . . 50.0 111.139 -177.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.34 -170.67 16.47 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.152 -1.979 . . . . 50.0 108.152 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 24.16 2.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.589 0.694 . . . . 25.0 110.461 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.48 166.92 25.23 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 106.726 -1.583 . . . . 50.0 106.726 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.78 -14.49 24.25 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 115.501 -2.532 . . . . 50.0 113.966 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -87.09 -46.08 10.12 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.447 -1.316 . . . . 50.0 107.447 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.74 92.5 Favored Glycine 0 C--O 1.207 -1.535 0 C-N-CA 120.955 -0.641 . . . . 50.0 113.352 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.89 -25.48 66.41 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.116 0.958 . . . . 50.0 110.748 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.35 31.24 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.412 -0.805 . . . . 25.0 109.087 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.928 -0.767 . . . . 50.0 108.928 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.414 ' HA ' HD11 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -62.3 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.528 -0.916 . . . . 50.0 108.528 175.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.13 71.55 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.922 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -61.46 -43.53 98.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.087 -0.709 . . . . 50.0 109.087 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 792' ' ' PHE . 10.5 mt -69.99 -41.51 79.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 108.898 -0.778 . . . . 50.0 108.898 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -27.78 36.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 50.0 110.74 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 10.2 t -78.2 -29.79 48.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.896 -0.593 . . . . 50.0 112.025 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.1 pt -90.19 -23.42 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 122.027 -0.421 . . . . 50.0 111.698 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 29.4 m -92.8 23.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 122.279 1.037 . . . . 50.0 109.672 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -122.6 57.95 10.21 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 114.44 -1.255 . . . . 25.0 108.83 170.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.93 -5.59 17.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 117.367 -1.288 . . . . 50.0 114.39 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.28 -3.15 24.62 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 108.455 -0.943 . . . . 50.0 108.455 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 56.18 41.57 29.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.984 0.914 . . . . 50.0 113.274 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.03 -8.4 16.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.598 -1.183 . . . . 50.0 110.659 176.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.2 23.13 63.95 Favored Glycine 0 N--CA 1.458 0.151 0 C-N-CA 121.185 -0.531 . . . . 50.0 113.845 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.34 154.92 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.348 -0.982 . . . . 50.0 108.348 -178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 47.2 t -96.27 124.15 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.862 -0.422 . . . . 50.0 109.862 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.519 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.0 OUTLIER -106.96 169.37 8.59 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.471 -177.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -49.61 -43.57 46.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.042 1.127 . . . . 50.0 114.042 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.519 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.5 OUTLIER -74.08 -16.94 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.194 0.521 . . . . 50.0 110.684 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.07 -37.57 17.31 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.617 -0.719 . . . . 25.0 111.31 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.417 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 63.2 m-85 -58.96 -33.21 70.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.601 . . . . 50.0 111.454 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.3 mm -62.08 -31.99 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.808 0.813 . . . . 50.0 110.466 -175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -51.11 -43.7 61.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.836 -1.075 . . . . 50.0 110.997 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.78 -43.66 45.31 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.868 0.366 . . . . 50.0 110.614 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.4 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.8 -30.83 46.66 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.276 1.213 . . . . 50.0 114.276 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 13.9 t -78.35 -19.74 52.8 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.313 -1.492 . . . . 50.0 111.108 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.93 -21.45 51.08 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.68 -0.489 . . . . 50.0 109.68 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.46 ' HB3' HE21 ' A' ' 856' ' ' GLN . 1.1 tp10 -56.47 -10.43 0.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.463 1.505 . . . . 50.0 113.399 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.9 p -73.99 -3.36 28.73 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.784 -0.573 . . . . 25.0 112.118 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -107.27 159.04 16.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.136 0.574 . . . . 25.0 110.823 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.12 152.23 39.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.991 -0.55 . . . . 50.0 111.308 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 164.25 30.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.49 -46.99 71.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.484 1.135 . . . . 25.0 110.094 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 12.4 p -64.16 -18.45 64.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.368 -1.287 . . . . 25.0 112.614 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.66 -20.53 48.93 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.72 -37.09 70.46 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.847 0.832 . . . . 50.0 110.293 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.92 -40.87 78.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.663 -0.699 . . . . 50.0 112.135 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 9.0 p -78.78 -30.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.234 -0.586 . . . . 50.0 109.784 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 62.4 mtt -64.93 -18.15 64.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.808 -0.558 . . . . 50.0 111.774 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.7 63.6 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.876 -0.515 . . . . 25.0 110.919 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 98.4 p -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.963 0.727 . . . . 50.0 112.963 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.31 -26.07 68.22 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.924 -0.485 . . . . 50.0 111.301 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.717 -0.615 . . . . 50.0 109.382 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.6 -40.13 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.288 -1.375 . . . . 50.0 107.288 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.17 96.97 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.674 -0.694 . . . . 75.0 111.534 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.36 71.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 25.0 109.577 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.03 -83.38 1.38 Allowed Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.048 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.01 -27.98 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 14.6 ptmt -71.92 152.23 42.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 50.0 110.744 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -82.48 -6.67 59.45 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.091 -0.504 . . . . 75.0 112.252 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -138.26 162.8 33.39 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 106.064 -1.828 . . . . 50.0 106.064 -175.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.433 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.4 tp -115.51 149.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 105.492 -2.04 . . . . 50.0 105.492 176.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' THR . . . . . 0.435 ' HG1' ' CD ' ' A' ' 847' ' ' GLU . 72.5 p -88.87 156.76 18.73 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 174.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.7 mtt -58.7 -32.33 69.06 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.813 -0.81 . . . . 50.0 108.813 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.87 -34.5 77.94 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 116.012 -0.54 . . . . 50.0 112.341 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.435 ' CD ' ' HG1' ' A' ' 844' ' ' THR . 0.7 OUTLIER -65.26 -43.25 91.9 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.565 -0.531 . . . . 50.0 109.565 177.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.91 -39.26 90.41 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.23 -0.655 . . . . 50.0 109.23 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.71 8.08 3.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.774 0.657 . . . . 50.0 112.774 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -109.57 -37.75 5.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.986 -0.746 . . . . 50.0 108.986 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -82.12 -29.16 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.819 -0.808 . . . . 75.0 108.819 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 89.28 47.25 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 122.597 0.359 . . . . 50.0 111.559 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . 0.427 ' HB2' ' HG ' ' A' ' 744' ' ' SER . 43.9 Cg_exo -54.15 -35.44 82.33 Favored 'Trans proline' 0 CA--C 1.575 2.562 0 N-CA-C 117.453 2.059 . . . . 25.0 117.453 164.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.07 -169.94 0.9 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 N-CA-C 116.542 1.708 . . . . 50.0 116.542 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -59.75 -16.42 27.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.915 1.079 . . . . 50.0 113.915 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 819' ' ' GLU . 9.6 mp0 -58.65 -26.21 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.746 -0.596 . . . . 75.0 109.97 175.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.94 -48.81 67.45 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.453 -0.78 . . . . 25.0 111.525 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.87 -32.98 70.14 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.347 -0.541 . . . . 50.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -52.62 63.42 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.528 -0.76 . . . . 50.0 109.0 172.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.39 -43.01 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.385 -0.126 . . . . 50.0 110.753 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 51.4 mt -58.22 -40.58 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.2 0.524 . . . . 50.0 110.406 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.42 63.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -110.43 -2.41 16.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.984 0.421 . . . . 50.0 109.993 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.448 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -86.44 155.07 20.7 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.119 -0.363 . . . . 50.0 111.596 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -77.91 142.17 64.55 Favored Pre-proline 0 C--O 1.22 -0.5 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.873 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.6 93.34 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.954 3.102 . . . . 50.0 114.777 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -95.58 98.83 10.8 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.864 -1.161 . . . . 50.0 107.864 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 38.8 p -136.24 77.86 1.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.743 0.783 . . . . 25.0 109.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -107.47 173.27 18.54 Favored Glycine 0 C--O 1.226 -0.398 0 N-CA-C 109.75 -1.34 . . . . 50.0 109.75 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.48 -18.83 22.5 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.684 2.256 . . . . 50.0 113.011 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -88.69 -9.99 50.06 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.593 1.157 . . . . 50.0 108.243 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 37.4 m -111.38 -179.43 3.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.849 -1.523 . . . . 50.0 109.159 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.44 156.27 35.48 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 106.231 -1.766 . . . . 50.0 106.231 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.37 0.57 7.83 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 O-C-N 122.299 0.631 . . . . 50.0 113.54 -176.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -123.51 48.76 0.93 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.719 -0.952 . . . . 50.0 110.719 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.75 142.72 45.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -142.03 147.07 36.26 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.125 0.17 . . . . 50.0 110.779 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -85.71 108.02 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.294 0.568 . . . . 50.0 110.419 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.972 -1.013 . . . . 50.0 111.828 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.24 -29.01 19.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.623 0.971 . . . . 50.0 113.623 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -102.89 20.32 17.68 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.152 0.501 . . . . 50.0 109.931 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.0 p90 -47.52 155.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.983 1.475 . . . . 50.0 114.983 177.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 16.9 m -71.23 130.37 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.738 -1.119 . . . . 50.0 111.597 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 69.5 p -82.9 8.71 11.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.447 0.642 . . . . 25.0 110.385 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -134.98 145.21 47.9 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.14 143.91 57.56 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.052 -0.976 . . . . 50.0 109.352 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -23.5 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 118.3 2.704 . . . . 50.0 118.3 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 78.85 -164.56 50.41 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 -175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -133.21 151.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.1 m -154.82 170.52 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 57.33 43.36 23.54 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 124.312 1.008 . . . . 25.0 112.104 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.13 -0.941 . . . . 25.0 108.726 177.287 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 111.556 -0.617 . . . . 25.0 111.556 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.1 t -159.09 -128.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 73.8 p -157.0 -145.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.4 149.77 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.287 0.565 . . . . 50.0 110.807 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.415 ' HG ' ' HB2' ' A' ' 853' ' ' PRO . 59.7 p -97.45 168.22 10.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.964 0.411 . . . . 25.0 110.166 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -27.87 67.17 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.153 0.501 . . . . 50.0 109.898 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -80.8 -39.83 26.07 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 116.185 -0.461 . . . . 50.0 110.797 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.88 -40.43 92.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.713 -0.477 . . . . 50.0 109.713 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.5 -20.97 59.79 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.346 -0.612 . . . . 50.0 109.346 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -31.9 25.84 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.801 -0.36 . . . . 50.0 111.579 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.5 -37.48 21.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.78 -0.768 . . . . 50.0 109.24 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 49.9 t80 -71.76 -21.94 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.549 0.944 . . . . 50.0 113.549 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -19.53 63.11 Favored 'General case' 0 C--O 1.2 -1.516 0 O-C-N 121.175 -0.953 . . . . 50.0 109.0 174.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.01 64.27 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.825 0.739 . . . . 25.0 110.803 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -15.85 58.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 50.0 111.009 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -23.64 43.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.449 1.277 . . . . 50.0 114.449 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -4.06 11.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.766 0.317 . . . . 50.0 111.427 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -69.66 -55.33 10.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.855 0.359 . . . . 50.0 111.834 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -102.59 2.72 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.429 -0.35 . . . . 50.0 111.389 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -56.11 104.43 0.14 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.136 0.969 . . . . 50.0 113.035 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.536 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 43.8 ttp180 -49.09 -43.73 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.221 -1.809 . . . . 50.0 113.131 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.65 4.68 13.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.321 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 5.4 t60 58.3 34.5 24.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.018 0.913 . . . . 25.0 111.752 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.5 p -74.63 -7.69 54.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.77 . . . . 50.0 112.078 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.08 67.55 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 108.947 -1.661 . . . . 50.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -154.48 136.39 14.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.034 -1.083 . . . . 25.0 108.233 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.43 126.83 36.64 Favored 'General case' 0 C--O 1.202 -1.412 0 O-C-N 120.941 -1.099 . . . . 50.0 108.33 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . 0.428 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.44 -169.06 34.62 Favored Glycine 0 C--O 1.199 -2.079 0 N-CA-C 110.188 -1.165 . . . . 50.0 110.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -62.32 -57.52 0.47 Allowed 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 120.359 2.08 . . . . 50.0 113.751 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.52 -17.39 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.632 0.73 . . . . 50.0 110.091 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.536 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 9.7 mt-10 -87.93 -44.8 10.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.777 -0.647 . . . . 50.0 110.399 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -60.04 -39.74 86.96 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.329 0.652 . . . . 50.0 110.904 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -23.93 66.75 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.857 -0.611 . . . . 50.0 110.056 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -35.16 21.33 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 46.8 t -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.985 0.898 . . . . 50.0 109.248 176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.04 -18.7 59.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.885 1.809 . . . . 50.0 115.885 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.42 -40.76 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.382 -0.97 . . . . 50.0 108.382 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.2 m -79.28 -5.78 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.698 -0.683 . . . . 25.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -104.37 -1.0 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.213 -0.449 . . . . 50.0 110.271 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.94 31.31 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 118.923 -1.608 . . . . 25.0 112.648 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -57.34 164.34 1.87 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 121.537 3.903 . . . . 50.0 121.537 -175.633 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.56 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.2 t70 -76.48 -0.01 21.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.08 2.552 . . . . 25.0 111.617 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.77 177.47 5.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 CA-C-N 115.335 -0.848 . . . . 50.0 111.194 -171.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.58 -172.65 24.13 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 104.897 -3.281 . . . . 50.0 104.897 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.56 19.91 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.342 1.071 . . . . 25.0 111.094 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . 0.44 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 17.8 t70 -68.52 149.03 98.13 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 106.565 -1.642 . . . . 75.0 106.565 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 55.8 Cg_endo -60.77 -25.87 81.95 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 N-CA-C 113.615 0.583 . . . . 50.0 113.615 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -81.89 -43.16 18.54 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.276 -1.009 . . . . 50.0 108.276 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.63 87.76 Favored Glycine 0 C--O 1.207 -1.578 0 C-N-CA 120.829 -0.701 . . . . 50.0 113.68 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.99 -25.18 64.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.497 1.148 . . . . 50.0 110.636 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -73.96 -31.24 62.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 50.0 110.506 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -42.11 97.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.171 -1.418 . . . . 50.0 107.171 172.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.16 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -58.24 -37.43 74.89 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.978 -0.749 . . . . 50.0 108.978 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.2 -41.77 23.13 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 O-C-N 122.056 -0.402 . . . . 50.0 110.04 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -26.1 39.27 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.565 0.698 . . . . 50.0 110.826 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 25.5 t -76.47 -31.69 57.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 50.0 111.709 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 17.1 pt -92.36 -23.65 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.709 0.633 . . . . 50.0 112.709 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.87 24.27 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 122.32 1.057 . . . . 50.0 109.728 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -121.16 57.48 6.53 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.616 -1.174 . . . . 25.0 109.347 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.03 -7.82 22.25 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 117.458 -1.228 . . . . 50.0 112.907 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -97.42 -9.6 27.0 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 122.53 1.157 . . . . 50.0 110.494 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 53.65 44.69 29.37 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 112.011 -2.359 . . . . 50.0 113.251 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.21 -8.34 13.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.162 -1.381 . . . . 50.0 110.3 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.69 62.22 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 121.102 -0.57 . . . . 50.0 113.114 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.43 156.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.206 -1.405 . . . . 50.0 107.206 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 48.7 t -96.62 123.75 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.949 0.404 . . . . 50.0 109.926 -174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 7.4 p -102.11 170.12 8.31 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.933 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.34 -44.08 61.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.245 0.832 . . . . 50.0 113.245 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -16.02 60.44 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.547 -0.461 . . . . 50.0 110.261 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.4 -36.4 20.7 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.071 0.462 . . . . 25.0 111.485 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.431 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 66.9 m-85 -59.58 -33.5 71.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.184 0.516 . . . . 50.0 111.935 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -62.9 -31.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.573 0.701 . . . . 50.0 110.402 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -51.89 -40.52 60.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.852 -1.067 . . . . 50.0 111.309 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.56 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.1 t80 -78.22 -43.85 27.27 Favored 'General case' 0 C--O 1.208 -1.094 0 O-C-N 121.82 -0.55 . . . . 50.0 110.112 174.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.5 tpt -61.0 -21.75 63.86 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 116.258 1.947 . . . . 50.0 116.258 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -80.02 -19.6 47.34 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 120.681 -1.262 . . . . 50.0 109.141 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -77.46 -19.79 55.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.614 -0.721 . . . . 50.0 110.444 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.58 -20.38 2.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 121.827 0.822 . . . . 50.0 111.591 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 77.9 p -66.46 3.42 0.97 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.354 1.242 . . . . 25.0 114.354 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -123.7 150.48 44.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.327 0.651 . . . . 25.0 110.057 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.65 148.35 33.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.609 1.337 . . . . 50.0 114.609 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 172.57 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.776 -1.564 . . . . 25.0 106.776 171.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -76.09 -35.06 59.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.785 0.802 . . . . 25.0 109.594 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -21.75 62.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.52 -0.764 . . . . 25.0 111.147 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.84 -21.95 65.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.606 -0.27 . . . . 25.0 111.152 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.16 -33.27 71.95 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.736 0.779 . . . . 50.0 109.962 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -68.86 -37.81 79.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 50.0 111.915 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.22 -37.58 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 109.974 -0.38 . . . . 50.0 109.974 -174.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -78.08 -0.87 29.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.04 0.448 . . . . 50.0 111.363 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.25 3.94 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.391 0.676 . . . . 25.0 111.528 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 79.9 p -50.23 -28.6 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.447 0.906 . . . . 50.0 113.447 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -22.78 67.08 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.503 1.047 . . . . 50.0 112.843 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -40.1 58.07 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.975 -1.078 . . . . 50.0 108.385 175.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -66.85 -42.97 89.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.079 -0.711 . . . . 50.0 109.079 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.18 -45.52 93.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.494 -0.321 . . . . 50.0 111.859 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.93 71.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.76 0.79 . . . . 25.0 109.407 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.05 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.216 -0.754 . . . . 25.0 111.216 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -114.79 -3.21 12.81 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.127 0.463 . . . . 25.0 112.23 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -86.46 152.7 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.369 -0.974 . . . . 50.0 108.369 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -88.06 0.66 55.7 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.91 1.078 . . . . 50.0 113.91 -174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -146.59 159.92 42.83 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.304 -2.109 . . . . 50.0 105.304 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.451 HG13 ' HB2' ' A' ' 847' ' ' GLU . 4.4 tp -110.43 148.5 13.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 176.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -86.67 151.2 23.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.704 -1.961 . . . . 25.0 105.704 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -56.06 -33.2 64.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.085 0.469 . . . . 50.0 109.849 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.87 -34.08 77.13 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.749 -0.66 . . . . 50.0 112.708 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.451 ' HB2' HG13 ' A' ' 843' ' ' ILE . 10.7 mt-10 -69.16 -38.12 78.58 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.142 -0.349 . . . . 50.0 110.849 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.7 -39.87 80.29 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 121.938 0.875 . . . . 50.0 108.802 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -80.72 31.87 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 50.0 111.256 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -128.24 -34.65 2.06 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.268 -1.382 . . . . 50.0 107.268 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.437 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -101.13 -18.24 16.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.238 -1.346 . . . . 50.0 109.021 177.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.437 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 11.7 mt -118.25 82.71 18.85 Favored Pre-proline 0 N--CA 1.467 0.418 0 CA-C-O 120.838 0.351 . . . . 50.0 111.758 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . 0.415 ' HB2' ' HG ' ' A' ' 744' ' ' SER . 43.6 Cg_exo -54.64 -33.43 79.36 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 117.336 2.014 . . . . 25.0 117.336 166.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.46 -171.98 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 N-CA-C 116.633 1.743 . . . . 50.0 116.633 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -16.71 17.49 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.819 1.044 . . . . 50.0 113.819 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -56.29 -29.72 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.078 -0.389 . . . . 75.0 110.541 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.19 -50.0 72.02 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.972 -0.455 . . . . 25.0 110.908 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.32 -32.35 64.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 120.365 -0.534 . . . . 50.0 111.237 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -52.42 63.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.463 -0.79 . . . . 50.0 109.351 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.93 -43.88 97.59 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 110.172 -0.307 . . . . 50.0 110.172 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 46.1 mt -59.32 -39.61 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 50.0 110.758 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.21 64.77 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.05 -7.76 17.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.311 0.577 . . . . 50.0 110.554 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.1 ttm -79.79 150.4 30.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.867 -0.52 . . . . 50.0 110.246 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.49 130.4 94.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.058 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.71 88.76 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.616 2.21 . . . . 50.0 114.295 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -92.0 98.03 11.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.654 -0.869 . . . . 50.0 108.654 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 41.5 p -137.37 77.79 1.66 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . 0.425 ' H ' ' HB2' ' A' ' 872' ' ' SER . . . -105.69 178.84 23.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 109.274 -1.53 . . . . 50.0 109.274 176.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.18 -19.93 25.45 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.423 2.082 . . . . 50.0 113.059 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -90.24 -11.58 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 124.53 1.132 . . . . 50.0 108.397 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' SER . . . . . 0.425 ' HB2' ' H ' ' A' ' 869' ' ' GLY . 19.4 m -104.19 171.37 7.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.266 -1.334 . . . . 50.0 109.806 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -98.49 155.27 37.01 Favored Pre-proline 0 C--N 1.315 -0.934 0 N-CA-C 105.706 -1.961 . . . . 50.0 105.706 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -76.54 32.53 0.41 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.014 1.809 . . . . 50.0 113.957 -175.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -159.68 42.07 0.46 Allowed Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.293 -1.523 . . . . 50.0 109.293 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 139.25 48.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -141.96 144.51 33.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.53 -0.174 . . . . 50.0 110.53 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -85.0 109.52 18.25 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.719 -0.792 . . . . 50.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -69.17 -37.2 78.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.687 -1.142 . . . . 50.0 111.039 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.25 -26.11 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.342 0.867 . . . . 50.0 113.342 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -102.49 19.05 19.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.866 0.365 . . . . 50.0 110.49 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.6 p90 -47.98 155.35 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.426 1.639 . . . . 50.0 115.426 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 44.0 m -77.8 131.61 37.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.022 -0.99 . . . . 50.0 110.966 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 57.0 p -80.61 -4.18 53.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -100.18 145.0 28.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.25 150.84 25.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.456 -1.683 . . . . 50.0 106.456 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -45.55 4.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 121.12 3.748 . . . . 50.0 121.12 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.91 21.76 40.78 Favored Glycine 0 C--O 1.226 -0.385 0 O-C-N 121.344 -0.848 . . . . 25.0 113.127 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -67.43 -45.02 77.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 117.87 0.835 . . . . 25.0 110.177 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 7.9 t 53.03 31.58 11.35 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -92.06 47.49 1.34 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.393 0.616 . . . . 25.0 110.633 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.251 1.163 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.415 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.383 0 CA-C-O 119.138 -0.812 . . . . 25.0 112.725 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 72.3 p -138.91 -133.59 0.12 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.507 1.154 . . . . 25.0 110.992 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 78.3 p -157.16 -160.78 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.58 144.17 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.512 0.673 . . . . 50.0 110.172 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.582 ' HG ' ' HB2' ' A' ' 853' ' ' PRO . 59.5 p -97.58 166.86 11.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.455 -177.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -25.05 65.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 50.0 110.812 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -82.16 -39.45 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.907 -0.317 . . . . 50.0 110.572 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.419 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.8 tp60 -59.47 -42.39 91.93 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.011 0.434 . . . . 50.0 110.152 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.5 ptp -73.16 -21.04 60.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.333 -0.618 . . . . 50.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -42.61 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.843 -0.429 . . . . 50.0 109.843 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.52 -35.44 40.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.199 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -70.49 -22.12 62.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.544 0.942 . . . . 50.0 113.544 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -21.66 61.25 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 120.928 -1.108 . . . . 50.0 108.728 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.11 -22.85 67.14 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.993 0.815 . . . . 25.0 111.43 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -17.2 56.36 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.057 -0.402 . . . . 50.0 111.362 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -23.68 45.86 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.408 1.262 . . . . 50.0 114.408 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.58 -8.87 10.37 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.028 0.381 . . . . 50.0 112.028 178.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.46 -51.91 45.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.062 0.458 . . . . 50.0 112.19 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . 0.458 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.2 m-85 -104.05 2.15 31.82 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.445 -0.343 . . . . 50.0 111.354 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -56.99 104.44 0.16 Allowed 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.947 0.879 . . . . 50.0 111.783 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.526 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 60.3 mtt180 -58.5 -33.8 70.22 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 114.034 -1.439 . . . . 50.0 113.418 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -115.59 -2.39 12.51 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.638 0.586 . . . . 75.0 110.805 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.73 30.41 16.8 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.406 1.632 . . . . 25.0 115.406 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 56.6 p -69.54 -11.06 60.53 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.982 1.104 . . . . 50.0 113.982 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.85 61.7 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.755 -1.738 . . . . 50.0 108.755 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.5 136.32 14.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.959 -1.12 . . . . 25.0 108.474 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.89 125.55 41.4 Favored 'General case' 0 C--O 1.195 -1.774 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.93 -167.64 35.66 Favored Glycine 0 C--O 1.196 -2.221 0 N-CA-C 108.917 -1.673 . . . . 50.0 108.917 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -60.67 -60.54 0.25 Allowed 'Trans proline' 0 CA--C 1.534 0.516 0 CA-C-N 120.829 2.314 . . . . 50.0 114.254 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -16.82 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.581 0.705 . . . . 50.0 110.686 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.526 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 13.6 mt-10 -85.37 -45.69 11.66 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.346 -0.612 . . . . 50.0 109.346 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -58.67 -42.17 87.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.843 0.857 . . . . 50.0 111.465 -178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -23.04 67.19 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.792 -0.64 . . . . 50.0 111.621 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.53 -34.5 21.51 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 45.5 t -62.95 -45.6 91.72 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.116 0.96 . . . . 50.0 109.798 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.77 -18.74 45.67 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.764 1.764 . . . . 50.0 115.764 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.55 -40.26 85.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 57.5 m -79.75 -3.34 47.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.744 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.41 -3.85 17.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.405 -0.361 . . . . 50.0 110.642 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . 0.466 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 79.21 47.09 7.73 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 118.598 -1.763 . . . . 25.0 113.105 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.13 159.58 17.14 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 118.409 2.744 . . . . 50.0 118.409 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -86.99 7.83 25.89 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.832 0.825 . . . . 25.0 111.04 -175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.78 -179.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.94 -1.027 . . . . 50.0 109.211 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -171.74 -162.7 24.44 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.704 -2.158 . . . . 50.0 107.704 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.09 6.79 5.84 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . 0.4 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 20.1 t70 -66.26 143.89 98.5 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 107.192 -1.411 . . . . 50.0 107.192 176.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 58.0 Cg_endo -62.62 -22.71 74.26 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 120.536 0.824 . . . . 50.0 113.968 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.0 -39.17 18.37 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.02 -34.31 89.63 Favored Glycine 0 C--O 1.206 -1.596 0 C-N-CA 121.07 -0.586 . . . . 50.0 112.506 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.55 -27.22 68.28 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.003 0.901 . . . . 50.0 110.942 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.08 -40.09 47.35 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.431 -0.793 . . . . 25.0 109.229 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.16 -33.1 69.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.625 . . . . 50.0 109.588 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.09 99.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 50.0 108.267 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.39 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.634 -0.426 . . . . 25.0 111.788 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -60.44 -43.53 96.72 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.262 -0.644 . . . . 50.0 109.262 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.2 mt -70.87 -41.46 77.23 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 N-CA-C 108.86 -0.793 . . . . 50.0 108.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.09 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 50.0 110.96 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.2 t -77.67 -34.35 53.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.103 -0.498 . . . . 50.0 111.89 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.0 pt -83.93 -24.69 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 121.706 -0.621 . . . . 50.0 110.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 24.6 m -93.39 21.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 122.451 1.119 . . . . 50.0 109.38 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -122.76 64.33 22.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.231 -1.349 . . . . 25.0 107.888 167.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 -6.53 19.12 Favored 'Trans proline' 0 C--N 1.348 0.542 0 N-CA-C 114.391 0.881 . . . . 50.0 114.391 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -111.13 -1.82 16.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.34 -0.615 . . . . 50.0 109.34 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.71 40.91 28.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 50.0 112.919 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.37 -6.8 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.147 -0.933 . . . . 50.0 110.894 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.8 20.06 69.11 Favored Glycine 0 N--CA 1.458 0.144 0 C-N-CA 121.229 -0.51 . . . . 50.0 113.857 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.06 151.82 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.89 125.6 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 -176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.4 p -104.8 166.75 10.18 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.778 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.38 -41.65 60.83 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.598 0.962 . . . . 50.0 113.598 177.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.21 -17.24 60.39 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.546 -0.462 . . . . 50.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.04 -36.56 18.12 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.249 0.547 . . . . 25.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.421 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.56 -33.85 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.462 0.649 . . . . 50.0 110.896 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.8 mm -60.52 -32.36 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 115.103 -0.953 . . . . 50.0 110.618 -175.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.8 -49.56 62.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.591 -0.731 . . . . 50.0 110.52 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -69.09 -41.33 77.63 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 121.134 0.493 . . . . 50.0 110.534 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.29 -22.55 66.12 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 114.295 1.22 . . . . 50.0 114.295 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 30.5 t -82.1 -19.71 39.6 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.136 -0.977 . . . . 50.0 109.07 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -20.02 57.81 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 116.195 -0.457 . . . . 50.0 110.169 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.83 -21.76 4.59 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 122.002 0.906 . . . . 50.0 111.52 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 69.1 p -67.19 2.42 1.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -118.82 141.13 48.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.099 0.56 . . . . 25.0 110.507 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.431 ' C ' ' HG1' ' A' ' 823' ' ' THR . 2.9 m-20 -67.23 140.47 57.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 50.0 112.584 -176.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' A' ' 822' ' ' ASP . 1.5 m -150.4 156.72 42.03 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.48 -47.87 78.32 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.057 0.932 . . . . 25.0 112.177 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' THR . . . . . 0.466 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 1.4 p -75.6 -21.58 57.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.537 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.31 -25.55 64.28 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.611 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.33 -33.17 69.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.836 0.827 . . . . 50.0 110.145 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -70.75 -37.6 73.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.149 0.796 . . . . 50.0 113.149 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.8 p -76.65 -31.65 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.603 -0.517 . . . . 50.0 109.603 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.86 -9.61 46.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.292 0.479 . . . . 75.0 112.292 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.75 -16.36 4.26 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.731 0.412 . . . . 25.0 111.771 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 89.9 p -50.23 -28.77 8.15 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.493 0.923 . . . . 50.0 113.493 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -22.14 66.64 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.159 -0.963 . . . . 50.0 113.25 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -38.36 53.87 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.013 -1.106 . . . . 50.0 108.013 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.06 -41.88 90.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.427 -0.953 . . . . 50.0 108.427 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.06 -47.44 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.17 0.433 . . . . 50.0 112.17 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.4 90.23 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.34 -85.87 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.887 -0.673 . . . . 25.0 111.922 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -115.01 -19.98 10.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.389 0.885 . . . . 25.0 113.389 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -74.57 154.0 38.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.387 0.613 . . . . 50.0 110.401 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -88.01 1.87 53.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.473 0.916 . . . . 50.0 113.473 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -147.63 160.06 43.08 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 105.627 -1.99 . . . . 50.0 105.627 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' A' ' 847' ' ' GLU . 4.9 tp -111.64 149.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.015 -1.476 . . . . 50.0 107.015 175.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.6 p -88.46 150.22 23.25 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 65.5 mtt -55.69 -33.28 64.03 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 110.134 -0.321 . . . . 50.0 110.134 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -21.49 59.17 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 112.858 0.688 . . . . 50.0 112.858 -176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.405 ' HB2' HG13 ' A' ' 843' ' ' ILE . 13.6 mt-10 -72.3 -40.01 67.86 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.564 -0.902 . . . . 50.0 108.564 174.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.66 -38.99 92.88 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 108.191 -1.04 . . . . 50.0 108.191 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -80.81 28.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 123.125 0.57 . . . . 50.0 111.377 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -125.82 -39.08 2.15 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.984 -1.487 . . . . 50.0 106.984 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.456 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.4 pt-20 -89.94 -24.11 21.39 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.83 -1.544 . . . . 50.0 106.83 174.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.456 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.1 mt -122.07 81.04 43.42 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.92 -0.582 . . . . 50.0 111.339 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . 0.582 ' HB2' ' HG ' ' A' ' 744' ' ' SER . 35.6 Cg_exo -58.07 -23.75 62.46 Favored 'Trans proline' 0 CA--C 1.583 2.959 0 C-N-CA 114.983 -2.878 . . . . 25.0 118.862 164.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.439 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 32.9 Cg_endo -84.65 -165.1 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.561 0 N-CA-C 117.306 2.002 . . . . 50.0 117.306 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -51.19 -29.49 14.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.249 -1.342 . . . . 50.0 113.934 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -57.63 -31.46 66.28 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.569 -0.452 . . . . 75.0 111.936 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -65.8 -46.78 77.38 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.261 -0.899 . . . . 25.0 111.108 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.52 -34.48 74.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.191 -0.604 . . . . 50.0 111.097 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -51.29 69.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.636 . . . . 50.0 109.393 173.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.82 -45.33 93.1 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.536 -0.302 . . . . 50.0 110.371 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 43.9 mt -59.83 -40.72 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 122.506 0.323 . . . . 50.0 110.435 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.52 76.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -8.67 35.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 50.0 112.291 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.4 ttm -79.2 152.92 30.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.506 -0.746 . . . . 50.0 112.007 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -69.02 134.51 89.68 Favored Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 120.083 -0.647 . . . . 25.0 109.984 -173.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.07 89.57 1.16 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 124.088 3.192 . . . . 50.0 114.462 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -91.23 103.04 15.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.764 0.792 . . . . 50.0 109.379 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 50.9 p -140.92 159.62 41.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.1 -177.53 35.63 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 107.65 -2.18 . . . . 50.0 107.65 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.07 -27.15 14.26 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 CA-C-N 119.497 1.648 . . . . 50.0 114.187 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -91.91 -6.21 51.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.285 1.041 . . . . 50.0 108.862 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 13.4 m -96.51 161.0 14.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.487 -1.233 . . . . 50.0 109.589 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.81 156.67 40.57 Favored Pre-proline 0 C--N 1.313 -1.019 0 N-CA-C 105.236 -2.135 . . . . 50.0 105.236 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.58 11.64 1.02 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 N-CA-C 114.51 0.927 . . . . 50.0 114.51 -174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -145.47 53.51 0.56 Allowed Glycine 0 C--O 1.222 -0.617 0 N-CA-C 111.115 -0.794 . . . . 50.0 111.115 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.8 140.49 47.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.9 mt -141.98 153.68 44.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.519 -0.309 . . . . 50.0 110.204 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -92.05 108.85 20.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.435 0.636 . . . . 50.0 110.517 176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.778 -1.101 . . . . 50.0 111.748 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -92.22 -25.25 18.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.709 1.004 . . . . 50.0 113.709 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 14.2 t -102.75 18.22 21.94 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.926 -0.398 . . . . 50.0 109.926 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 2.9 p90 -49.21 153.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.057 1.132 . . . . 50.0 114.057 177.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.7 m -77.49 130.51 37.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.297 -0.865 . . . . 50.0 111.899 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.7 p -79.53 -5.72 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.612 0.72 . . . . 25.0 109.077 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -103.75 149.13 25.28 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 mp -75.29 168.63 19.62 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -57.2 36.24 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 118.503 2.779 . . . . 50.0 118.503 173.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -97.16 42.34 2.18 Favored Glycine 0 C--N 1.319 -0.378 0 O-C-N 121.178 -0.951 . . . . 25.0 113.113 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -60.32 131.24 50.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.362 0.601 . . . . 25.0 110.286 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.5 m -138.41 42.59 2.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 25.0 110.854 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -143.59 155.44 44.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 117.681 -1.152 . . . . 25.0 112.152 -174.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 111.879 -0.489 . . . . 25.0 111.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 66.3 m -150.22 -57.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.091 0.557 . . . . 25.0 111.808 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.2 p 177.93 -153.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.41 151.75 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.752 0.787 . . . . 50.0 111.787 176.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.7 t -97.42 159.01 15.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.737 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.582 . . . . 50.0 109.845 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.43 -36.23 29.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.78 -0.368 . . . . 50.0 110.188 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.448 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.9 tp60 -62.23 -41.26 98.25 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.783 -0.367 . . . . 50.0 110.881 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.2 ptp -72.83 -21.55 60.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.996 -0.742 . . . . 50.0 108.996 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -41.16 33.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.836 -0.346 . . . . 50.0 110.577 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.85 -36.15 50.28 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.937 -0.705 . . . . 50.0 109.824 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -72.74 -21.47 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.099 0.777 . . . . 50.0 113.099 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.67 -19.58 63.98 Favored 'General case' 0 C--O 1.2 -1.522 0 O-C-N 121.211 -0.931 . . . . 50.0 109.077 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.49 -20.62 63.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.949 0.795 . . . . 25.0 110.806 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 6.6 t -64.71 -13.11 53.19 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.929 -0.482 . . . . 50.0 110.806 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -23.16 55.95 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.103 1.149 . . . . 50.0 114.103 171.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.19 -10.38 13.86 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.625 0.25 . . . . 50.0 111.551 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -63.77 -58.05 8.04 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.355 0.502 . . . . 50.0 112.355 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.13 6.13 35.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 116.331 -0.395 . . . . 50.0 110.611 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.7 104.54 0.29 Allowed 'General case' 0 CA--C 1.495 -1.168 0 CA-C-O 122.001 0.905 . . . . 75.0 111.432 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.514 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 44.0 mtt180 -55.19 -34.86 64.23 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 112.965 -1.925 . . . . 50.0 113.747 -174.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.45 3.48 13.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.628 -0.715 . . . . 50.0 110.828 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 57.79 33.53 23.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.141 1.534 . . . . 25.0 115.141 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 -18.14 60.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.07 0.767 . . . . 50.0 113.07 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.59 18.19 45.94 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 109.766 -1.333 . . . . 50.0 109.766 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.5 p -154.48 135.74 14.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.97 126.88 42.43 Favored 'General case' 0 C--O 1.201 -1.484 0 N-CA-C 108.045 -1.094 . . . . 50.0 108.045 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.21 -170.22 38.77 Favored Glycine 0 C--O 1.193 -2.434 0 N-CA-C 109.101 -1.6 . . . . 50.0 109.101 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -60.95 -58.44 0.46 Allowed 'Trans proline' 0 C--N 1.327 -0.572 0 CA-C-N 120.946 2.373 . . . . 50.0 113.685 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.55 -16.89 64.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.468 0.652 . . . . 50.0 111.074 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.514 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 11.3 mt-10 -87.57 -44.46 11.23 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 120.374 -0.531 . . . . 50.0 110.823 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -59.45 -39.24 82.98 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 123.708 0.803 . . . . 50.0 110.985 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -22.15 66.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.163 -0.471 . . . . 50.0 110.746 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.74 -35.89 20.51 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.37 -44.76 95.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.915 0.864 . . . . 50.0 110.062 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.79 -18.8 61.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.845 1.795 . . . . 50.0 115.845 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.2 -36.77 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 26.2 t -73.51 -9.07 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.209 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.18 -10.39 14.98 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.052 0.22 . . . . 50.0 111.28 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.23 54.53 3.52 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 118.862 -1.637 . . . . 25.0 111.847 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.56 159.43 21.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 117.038 2.236 . . . . 50.0 117.038 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -95.29 21.17 8.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.281 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.56 165.35 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.758 -1.11 . . . . 50.0 109.379 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.1 -170.42 18.04 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 105.747 -2.941 . . . . 50.0 105.747 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.51 9.11 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.825 0.813 . . . . 25.0 110.804 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.74 154.1 68.25 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.847 . . . . 50.0 109.283 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.26 -25.19 50.04 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 117.189 -1.407 . . . . 50.0 113.57 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -79.42 -43.87 22.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.655 -0.498 . . . . 50.0 109.655 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.04 -30.34 70.0 Favored Glycine 0 C--O 1.21 -1.374 0 C-N-CA 120.371 -0.919 . . . . 50.0 113.909 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.77 -28.78 69.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.238 1.019 . . . . 50.0 109.87 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.8 -38.58 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' A' ' 794' ' ' ARG . 6.7 mm-40 -74.93 -32.15 61.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 50.0 110.82 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -44.53 95.63 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.229 -1.397 . . . . 50.0 107.229 173.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.66 72.14 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.866 -0.333 . . . . 25.0 111.837 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . 0.427 HH21 ' CD ' ' A' ' 791' ' ' GLU . 7.4 tmm_? -60.43 -40.62 91.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 174.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 10.9 mt -73.49 -42.29 56.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 N-CA-C 109.185 -0.672 . . . . 50.0 109.185 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -26.24 38.68 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.135 0.493 . . . . 50.0 111.158 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -77.44 -31.97 54.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.842 -0.617 . . . . 50.0 111.885 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -89.47 -23.46 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.874 -0.516 . . . . 50.0 111.657 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 29.9 m -92.65 21.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.925 0.869 . . . . 50.0 109.901 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -122.36 60.91 14.0 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.63 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -70.18 -5.33 16.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 N-CA-C 114.433 0.897 . . . . 50.0 114.433 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -107.55 -1.97 20.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 56.28 41.46 29.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.964 0.905 . . . . 50.0 112.58 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.5 -8.12 18.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.933 -1.03 . . . . 50.0 110.569 177.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.1 20.47 64.9 Favored Glycine 0 C--O 1.233 0.093 0 C-N-CA 121.227 -0.511 . . . . 50.0 113.628 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.37 153.46 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 -178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 53.4 t -93.61 124.46 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.879 -0.785 . . . . 50.0 108.879 -176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.538 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -107.33 168.49 9.19 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 120.967 0.413 . . . . 25.0 111.51 -176.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.04 -42.31 37.97 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 114.456 1.28 . . . . 50.0 114.456 178.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.538 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.4 OUTLIER -75.91 -15.85 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 50.0 110.621 -179.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -89.22 -36.4 15.65 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.26 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.406 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 71.1 m-85 -59.77 -31.18 69.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 50.0 111.102 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.6 mm -61.75 -31.58 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.595 0.712 . . . . 50.0 110.685 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.69 -48.43 40.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.786 -1.097 . . . . 50.0 110.716 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.73 -39.2 62.01 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 120.953 0.406 . . . . 50.0 111.346 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -33.18 64.31 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 114.043 1.127 . . . . 50.0 114.043 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 39.2 t -79.2 -19.83 49.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.25 -1.531 . . . . 50.0 110.44 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -18.51 61.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.543 0.337 . . . . 50.0 111.705 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.401 ' HB3' HE21 ' A' ' 856' ' ' GLN . 8.3 tp10 -54.63 -17.47 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.707 1.203 . . . . 50.0 111.986 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.9 p -73.76 8.75 1.76 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -128.17 151.84 48.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.24 0.616 . . . . 25.0 109.854 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.32 151.21 46.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.886 1.439 . . . . 50.0 114.886 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.88 171.35 14.18 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.608 172.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.9 -40.33 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.777 0.799 . . . . 25.0 110.181 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.6 p -68.63 -19.27 64.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.319 -0.855 . . . . 25.0 110.68 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.21 -22.43 62.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -35.02 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.78 0.8 . . . . 50.0 110.39 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -71.55 -42.35 67.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.65 . . . . 50.0 112.263 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.94 -30.09 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.396 -0.521 . . . . 50.0 110.013 -173.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.16 -13.03 61.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.696 0.628 . . . . 50.0 112.696 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.72 -19.54 62.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.624 -0.673 . . . . 25.0 110.699 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.9 p -57.32 -27.3 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.65 -27.52 68.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.377 0.535 . . . . 50.0 111.619 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.41 -37.31 80.2 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.843 -0.535 . . . . 50.0 109.604 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.82 -38.64 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.954 -1.128 . . . . 50.0 107.954 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -44.71 96.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 50.0 110.643 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.24 79.75 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.054 0.93 . . . . 25.0 109.468 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 85.82 -102.52 2.67 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 106.141 -2.784 . . . . 25.0 106.141 -171.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -123.59 2.55 8.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.832 1.419 . . . . 25.0 114.832 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.92 152.88 43.19 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.522 -0.918 . . . . 50.0 108.522 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -81.06 1.06 33.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 115.096 1.517 . . . . 50.0 115.096 -174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -152.29 160.81 43.28 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 106.19 -1.782 . . . . 50.0 106.19 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -111.49 149.26 14.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.57 -1.641 . . . . 50.0 106.57 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.0 p -87.83 152.33 22.18 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 106.544 -1.65 . . . . 25.0 106.544 173.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.1 mtt -56.36 -34.51 66.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 121.208 0.528 . . . . 50.0 109.689 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -71.97 -25.56 61.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.108 0.781 . . . . 50.0 113.108 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -71.03 -37.18 72.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.214 -0.661 . . . . 50.0 109.214 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.34 -39.41 81.9 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 108.95 -0.759 . . . . 50.0 108.95 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -75.51 11.48 1.27 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.097 0.559 . . . . 50.0 112.5 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.6 -41.04 4.42 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.215 -1.031 . . . . 50.0 108.215 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -82.89 -26.97 31.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.347 -0.612 . . . . 50.0 109.347 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.36 90.87 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 50.0 110.63 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.39 -33.04 75.32 Favored 'Trans proline' 0 CA--C 1.577 2.645 0 N-CA-C 117.986 2.264 . . . . 25.0 117.986 165.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 26.5 Cg_endo -86.64 -165.76 0.27 Allowed 'Trans proline' 0 C--N 1.364 1.359 0 N-CA-C 116.909 1.85 . . . . 50.0 116.909 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -22.16 8.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.577 1.325 . . . . 50.0 114.577 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 819' ' ' GLU . 8.6 mp0 -60.64 -28.13 68.32 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.564 -0.71 . . . . 50.0 110.499 178.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.385 -0.822 . . . . 25.0 111.976 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.73 -33.4 70.8 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.378 -0.529 . . . . 50.0 110.904 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.68 71.54 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.953 -0.758 . . . . 50.0 108.953 173.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.044 -0.262 . . . . 50.0 110.856 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.55 -41.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.994 0.426 . . . . 50.0 110.882 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.98 67.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.05 -4.94 21.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.932 0.345 . . . . 50.0 111.932 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.423 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -79.81 154.42 28.46 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.563 -0.711 . . . . 50.0 111.323 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.77 136.48 82.91 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.728 -174.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.18 92.29 1.0 Allowed 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 124.223 3.282 . . . . 50.0 114.361 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.85 107.85 19.69 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.606 0.717 . . . . 50.0 112.232 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.1 p -131.96 156.53 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.46 176.33 38.7 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 109.539 -1.424 . . . . 50.0 109.539 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.74 -26.35 16.12 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 121.814 1.676 . . . . 50.0 114.004 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.18 5.37 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.644 1.211 . . . . 50.0 108.445 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 13.2 m -117.87 170.26 8.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.914 -1.494 . . . . 50.0 109.752 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.54 157.03 41.38 Favored Pre-proline 0 CA--C 1.495 -1.169 0 N-CA-C 106.203 -1.777 . . . . 50.0 106.203 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.2 -10.45 27.29 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 117.563 -1.158 . . . . 50.0 112.541 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -101.79 40.14 2.52 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-O 119.525 -0.597 . . . . 50.0 111.953 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.9 138.31 49.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.0 mt -142.0 150.7 41.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.617 0.228 . . . . 50.0 111.617 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -89.07 107.6 19.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.532 0.682 . . . . 50.0 110.957 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -69.63 -33.42 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.526 -1.215 . . . . 50.0 112.009 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -92.75 -23.44 18.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.501 0.926 . . . . 50.0 113.501 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.9 t -107.75 21.34 17.57 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.161 0.505 . . . . 50.0 109.975 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.3 p90 -49.35 157.57 0.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.484 1.29 . . . . 50.0 114.484 176.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.0 t -84.62 125.1 32.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.412 -0.813 . . . . 50.0 111.042 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.7 p -77.22 -12.86 60.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -91.35 131.27 36.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.452 -1.314 . . . . 25.0 107.452 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.5 153.55 41.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.331 -0.85 . . . . 50.0 110.532 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -44.26 -36.37 2.7 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.37 1.248 . . . . 50.0 114.37 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 71.47 -135.62 23.89 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.812 -0.709 . . . . 25.0 113.607 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -106.53 40.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.371 0.605 . . . . 25.0 109.793 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 23.3 p -87.48 165.29 15.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.958 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -145.99 -57.63 0.3 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 116.514 -1.708 . . . . 25.0 107.768 177.647 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.615 0 CA-C-O 119.869 -0.406 . . . . 25.0 113.242 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.6 m 54.2 47.0 24.12 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 118.224 2.676 . . . . 25.0 118.224 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.2 p -139.11 123.27 18.0 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 116.144 1.905 . . . . 25.0 116.144 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 153.34 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 109.22 -0.659 . . . . 50.0 109.22 172.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.4 t -97.55 156.5 16.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 25.0 109.837 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -30.54 71.66 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 176.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.93 -36.93 56.23 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.267 -0.271 . . . . 50.0 110.863 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -61.26 -40.84 95.57 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 121.532 0.682 . . . . 50.0 109.998 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.3 ptp -74.95 -21.32 59.24 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.87 -30.26 26.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.115 -0.493 . . . . 50.0 110.753 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.41 -40.46 17.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.0 t80 -69.86 -20.12 63.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.497 0.925 . . . . 50.0 113.497 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -60.89 -19.96 61.18 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.406 -0.961 . . . . 50.0 108.406 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.16 -23.45 62.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.958 0.799 . . . . 25.0 110.068 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -16.26 48.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.12 0.485 . . . . 50.0 110.59 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -23.54 44.34 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.975 1.102 . . . . 50.0 113.975 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -4.89 12.91 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.782 0.325 . . . . 50.0 111.342 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -68.34 -56.25 9.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.953 0.406 . . . . 50.0 112.07 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -101.83 4.11 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 50.0 111.926 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -57.7 104.43 0.18 Allowed 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.938 0.875 . . . . 50.0 111.951 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.577 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.1 OUTLIER -57.5 -35.42 70.2 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 114.097 -1.411 . . . . 50.0 113.946 -174.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -115.75 -3.66 12.22 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.525 0.516 . . . . 50.0 110.293 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 63.32 30.88 15.59 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 51.8 p -68.97 -10.84 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.417 0.687 . . . . 50.0 112.557 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.93 15.69 60.78 Favored Glycine 0 CA--C 1.51 -0.281 0 N-CA-C 107.646 -2.182 . . . . 50.0 107.646 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.7 p -154.46 136.54 14.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.838 -1.181 . . . . 25.0 108.869 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -95.16 124.78 39.39 Favored 'General case' 0 C--O 1.194 -1.82 0 N-CA-C 108.041 -1.096 . . . . 50.0 108.041 178.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.15 -166.09 33.23 Favored Glycine 0 C--O 1.196 -2.261 0 N-CA-C 109.491 -1.444 . . . . 50.0 109.491 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -62.33 -59.46 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 120.878 2.339 . . . . 50.0 113.857 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.91 -16.61 64.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 122.119 0.961 . . . . 50.0 111.524 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.577 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 19.9 mt-10 -86.66 -46.67 9.85 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.816 -0.754 . . . . 50.0 109.833 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.4 -41.51 85.07 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.66 0.784 . . . . 50.0 111.28 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.06 67.57 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 116.247 -0.433 . . . . 50.0 110.171 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.25 -34.4 21.97 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.313 0.506 . . . . 25.0 110.494 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.39 -46.84 86.82 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 107.942 -1.133 . . . . 50.0 107.942 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.45 -19.58 37.88 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 116.79 2.145 . . . . 50.0 116.79 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.56 -39.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.342 -0.984 . . . . 50.0 108.342 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.1 m -77.88 -10.02 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.973 -176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.33 -9.06 22.7 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.252 -0.431 . . . . 50.0 110.107 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . 0.417 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 80.66 53.84 3.89 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 118.658 -1.734 . . . . 25.0 111.059 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.76 163.79 8.81 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 116.698 2.11 . . . . 50.0 116.698 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.483 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 51.7 p30 -97.45 17.61 17.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.349 -0.841 . . . . 25.0 110.539 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.44 171.25 18.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 114.957 -1.02 . . . . 50.0 110.082 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.43 -171.94 17.81 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 104.322 -3.511 . . . . 50.0 104.322 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.18 22.46 2.44 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.735 1.267 . . . . 25.0 109.823 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.16 153.78 92.39 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 106.441 -1.689 . . . . 50.0 106.441 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.5 -23.23 50.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 116.195 -2.07 . . . . 50.0 111.667 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -73.87 -46.76 42.77 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.854 -0.795 . . . . 50.0 108.854 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.62 -32.6 81.97 Favored Glycine 0 C--O 1.206 -1.631 0 C-N-CA 120.919 -0.657 . . . . 50.0 112.365 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.62 -29.79 70.8 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 117.94 0.87 . . . . 50.0 110.768 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.91 55.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.39 -35.58 75.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.415 -0.812 . . . . 50.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.6 OUTLIER -62.72 -44.96 94.87 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.274 -1.01 . . . . 50.0 108.274 177.01 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.07 75.03 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.472 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -60.03 -43.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 792' ' ' PHE . 9.1 mt -70.45 -42.6 78.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -27.93 26.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.466 0.65 . . . . 50.0 110.677 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 30.4 t -78.92 -27.87 43.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.904 -0.589 . . . . 50.0 111.816 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.0 pt -92.2 -23.66 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.407 0.549 . . . . 50.0 112.179 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.03 21.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 122.428 1.108 . . . . 50.0 109.852 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -124.2 59.17 17.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.483 -1.235 . . . . 25.0 108.863 175.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.21 -4.43 14.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 114.801 1.039 . . . . 50.0 114.801 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -108.48 -1.69 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 56.94 40.51 28.75 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.355 0.872 . . . . 50.0 113.355 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -8.16 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.819 -1.082 . . . . 50.0 110.88 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.53 24.07 63.67 Favored Glycine 0 N--CA 1.459 0.225 0 C-N-CA 121.277 -0.487 . . . . 50.0 113.804 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.53 154.04 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 54.4 t -96.41 125.88 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 122.675 0.39 . . . . 50.0 109.998 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.54 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.0 OUTLIER -107.06 169.68 8.41 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.638 -178.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.19 -43.6 42.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.54 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.6 OUTLIER -74.48 -17.69 60.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.266 0.555 . . . . 50.0 110.236 -179.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.44 -37.6 19.59 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-O 121.538 0.685 . . . . 25.0 111.148 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.413 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 66.5 m-85 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.81 -0.632 . . . . 50.0 112.012 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 9.5 mm -61.1 -32.34 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.888 0.851 . . . . 50.0 110.365 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.34 -50.36 9.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.16 -1.382 . . . . 50.0 110.624 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.483 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 1.6 t80 -77.03 -42.46 38.43 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 119.996 -0.682 . . . . 50.0 111.749 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.15 34.52 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 114.566 1.321 . . . . 50.0 114.566 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 -20.12 50.13 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.088 -1.632 . . . . 50.0 110.86 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -78.27 -21.64 49.51 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.174 0.511 . . . . 50.0 110.417 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.515 ' HB3' HE21 ' A' ' 856' ' ' GLN . 1.7 tt0 -59.74 -7.41 1.58 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.326 1.45 . . . . 50.0 112.556 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 74.8 p -80.35 -0.82 38.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.775 -0.578 . . . . 25.0 111.651 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -110.01 161.08 15.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.834 0.454 . . . . 25.0 110.266 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.46 148.41 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.246 -0.279 . . . . 50.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.81 159.74 41.5 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 121.854 0.062 . . . . 25.0 111.139 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.39 -35.73 79.9 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.914 1.34 . . . . 25.0 109.943 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' THR . . . . . 0.417 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 2.9 p -74.92 -16.32 60.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 112.344 -2.207 . . . . 25.0 113.209 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.41 ' HA ' HG11 ' A' ' 829' ' ' VAL . . . -48.53 -26.46 2.19 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -177.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.85 -37.8 74.52 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.996 0.903 . . . . 50.0 110.192 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -68.75 -39.95 80.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 50.0 111.948 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 826' ' ' ALA . 7.8 p -76.72 -36.33 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 50.0 109.276 -177.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 95.1 mtp -66.27 -16.26 63.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.22 0.452 . . . . 50.0 112.22 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.74 62.81 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 122.116 -0.365 . . . . 25.0 111.155 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 99.6 p -62.33 -24.92 67.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.247 -0.283 . . . . 50.0 111.647 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -65.62 -22.71 66.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.215 -0.303 . . . . 75.0 111.759 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -69.09 -36.96 78.16 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.65 -41.35 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.516 -1.29 . . . . 50.0 107.516 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -46.39 89.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.492 -0.776 . . . . 50.0 111.044 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.65 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.147 0.975 . . . . 25.0 108.763 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 87.78 -102.34 2.8 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -114.98 3.44 14.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.715 0.757 . . . . 25.0 112.984 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -89.54 155.04 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 50.0 107.785 -175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -79.13 -11.49 59.98 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.571 1.323 . . . . 50.0 114.571 -176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -136.93 169.05 18.41 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.508 HG13 ' HB2' ' A' ' 847' ' ' GLU . 2.4 tp -123.05 146.88 27.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 105.321 -2.103 . . . . 50.0 105.321 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 44.2 p -85.56 152.8 22.87 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.147 -2.168 . . . . 25.0 105.147 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.1 mtt -54.28 -37.07 64.33 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.487 -0.931 . . . . 50.0 108.487 173.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.99 -31.19 69.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.265 -0.88 . . . . 50.0 113.245 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.508 ' HB2' HG13 ' A' ' 843' ' ' ILE . 8.5 mt-10 -66.22 -37.97 86.82 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.42 -43.83 80.27 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 107.605 -1.257 . . . . 50.0 107.605 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -76.5 28.21 0.12 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.289 0.636 . . . . 50.0 111.403 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -127.57 -34.0 2.26 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 106.746 -1.576 . . . . 50.0 106.746 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.419 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 15.1 pt-20 -96.77 -25.89 15.34 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.76 -1.564 . . . . 50.0 107.093 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.6 mt -119.57 81.83 24.81 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 123.179 0.592 . . . . 50.0 110.404 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -63.16 -22.17 72.77 Favored 'Trans proline' 0 CA--C 1.575 2.547 1 C-N-CA 113.178 -4.081 . . . . 25.0 116.948 167.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.9 -167.4 0.48 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 N-CA-C 116.731 1.781 . . . . 50.0 116.731 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -25.89 4.95 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 116.738 2.125 . . . . 50.0 116.738 176.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.515 HE21 ' HB3' ' A' ' 819' ' ' GLU . 15.5 mp0 -57.22 -30.17 64.36 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.686 -0.487 . . . . 75.0 109.686 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.7 71.3 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 121.826 -0.546 . . . . 25.0 110.943 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.35 -36.49 76.94 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 120.211 -0.596 . . . . 50.0 110.651 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -53.31 59.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.071 -1.085 . . . . 50.0 108.071 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.1 -42.46 99.59 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.996 0.369 . . . . 50.0 111.996 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.18 -41.34 86.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.508 -0.553 . . . . 50.0 109.508 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.28 -17.44 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.34 5.83 13.62 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 121.993 -0.442 . . . . 50.0 110.53 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.437 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -89.98 162.46 15.38 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.93 -0.482 . . . . 50.0 111.579 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -79.69 132.92 59.94 Favored Pre-proline 0 C--O 1.22 -0.487 0 O-C-N 122.17 -0.331 . . . . 25.0 110.822 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.63 87.69 0.94 Allowed 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.77 2.98 . . . . 50.0 114.479 -176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -90.19 107.91 19.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.06 0.933 . . . . 50.0 112.514 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 76.5 p -131.26 162.38 30.14 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 148.77 177.48 23.02 Favored Glycine 0 C--O 1.225 -0.451 0 N-CA-C 111.204 -0.758 . . . . 50.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -74.92 -21.7 15.77 Favored 'Trans proline' 0 C--O 1.22 -0.384 0 C-N-CA 122.405 2.07 . . . . 50.0 114.163 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -97.44 5.15 50.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.051 -1.463 . . . . 50.0 107.051 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 6.5 t -112.06 -177.88 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.291 -1.322 . . . . 50.0 109.533 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.31 156.04 80.03 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.11 -0.95 . . . . 50.0 108.676 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.05 96.11 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 O-C-N 122.504 0.739 . . . . 50.0 112.138 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 117.37 44.92 0.54 Allowed Glycine 0 C--O 1.222 -0.645 0 N-CA-C 110.602 -0.999 . . . . 50.0 110.602 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.54 137.5 50.67 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.3 mt -142.15 145.48 34.25 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 122.811 0.069 . . . . 50.0 110.866 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.48 115.57 22.13 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.556 -0.858 . . . . 50.0 110.459 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -67.18 -40.47 86.56 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.542 0.526 . . . . 50.0 111.827 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.19 -30.2 18.72 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.485 1.291 . . . . 50.0 114.485 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.1 t -97.82 17.56 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.784 0.326 . . . . 50.0 110.174 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 15.9 p90 -44.15 151.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.355 1.613 . . . . 50.0 115.355 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 m -65.66 123.01 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.526 -1.216 . . . . 50.0 111.9 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 64.7 p -75.56 -5.34 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.393 0.616 . . . . 25.0 109.544 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -108.54 130.38 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.05 135.87 57.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.865 -0.791 . . . . 50.0 108.865 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 59.61 27.48 16.7 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.067 0.855 . . . . 50.0 110.532 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -75.69 27.93 1.31 Allowed Glycine 0 C--O 1.223 -0.541 0 CA-C-N 114.761 -1.109 . . . . 25.0 115.761 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -92.98 -4.25 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.364 0.602 . . . . 25.0 109.441 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 26.4 m -81.48 116.51 21.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.392 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.95 -33.73 51.43 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.31 0.576 . . . . 25.0 111.13 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--O 1.251 1.177 0 CA-C-O 116.59 -1.671 . . . . 25.0 107.944 -177.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.721 0 CA-C-O 116.968 -2.018 . . . . 25.0 110.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 p -61.36 137.4 58.24 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 119.609 1.704 . . . . 25.0 107.89 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 69.99 -56.22 0.58 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.323 1.449 . . . . 25.0 114.457 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.47 146.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 117.566 2.432 . . . . 50.0 117.566 -176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 83.2 p -97.5 168.0 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.37 -0.832 . . . . 25.0 109.886 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -27.84 66.56 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.276 -0.42 . . . . 50.0 110.447 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.93 -39.16 26.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.096 -0.335 . . . . 50.0 110.096 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -60.23 -39.2 85.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.086 0.469 . . . . 50.0 110.873 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.31 -21.06 58.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.6 -33.23 31.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.864 -0.334 . . . . 50.0 110.655 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.49 -38.48 26.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.259 -1.015 . . . . 50.0 108.259 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 47.3 t80 -73.22 -21.3 60.67 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 113.501 0.926 . . . . 50.0 113.501 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -63.49 -19.85 65.11 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 107.072 -1.455 . . . . 50.0 107.072 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.77 68.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-O 122.054 0.93 . . . . 25.0 112.789 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.3 p -58.4 -22.57 54.45 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.135 -0.978 . . . . 75.0 110.008 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -23.49 22.7 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.746 1.387 . . . . 50.0 114.746 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -2.19 10.64 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.722 0.638 . . . . 50.0 112.722 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -68.24 -57.45 5.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.967 -0.561 . . . . 50.0 110.539 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -104.14 5.83 35.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 50.0 111.656 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -57.19 103.82 0.14 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 122.395 1.093 . . . . 50.0 112.385 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.504 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 34.1 ttp180 -53.88 -37.68 63.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.002 -1.908 . . . . 50.0 113.462 -175.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.45 4.93 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.08 -0.509 . . . . 50.0 110.905 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 4.7 t60 56.82 34.99 25.64 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.212 1.006 . . . . 25.0 112.531 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 63.0 p -75.58 -6.44 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.554 -0.748 . . . . 50.0 111.608 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.35 14.56 68.38 Favored Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 108.103 -1.999 . . . . 50.0 108.103 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.36 14.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.606 -1.297 . . . . 25.0 109.22 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.7 129.13 40.13 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 107.679 -1.23 . . . . 50.0 107.679 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . 0.419 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.8 -166.72 40.88 Favored Glycine 0 C--O 1.195 -2.339 0 N-CA-C 108.63 -1.788 . . . . 50.0 108.63 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.84 -63.72 0.12 Allowed 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 120.956 2.378 . . . . 50.0 114.325 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.39 -16.73 64.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.897 0.856 . . . . 50.0 110.548 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.504 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 15.0 mt-10 -85.15 -45.88 11.63 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 119.427 -0.909 . . . . 50.0 109.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -59.05 -42.29 89.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 123.383 0.673 . . . . 50.0 111.09 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -23.72 67.37 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.239 -0.437 . . . . 50.0 111.016 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.62 -35.06 21.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.12 -44.87 95.7 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.908 -0.775 . . . . 50.0 108.908 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.35 -21.23 61.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 116.04 1.867 . . . . 50.0 116.04 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 34.6 mt -63.81 -36.72 77.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.4 t -73.01 -5.3 37.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.195 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.91 -22.18 12.31 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.019 0.2 . . . . 50.0 111.502 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.52 51.8 2.11 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 119.446 -1.359 . . . . 25.0 110.608 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.07 165.34 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 117.404 2.372 . . . . 50.0 117.404 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.415 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 31.4 p-10 -99.15 15.12 27.0 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.937 0.895 . . . . 25.0 110.991 -175.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.98 172.12 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.671 -1.233 . . . . 50.0 107.671 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 785' ' ' ASP . . . -158.99 -164.37 14.31 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 107.322 -2.311 . . . . 50.0 107.322 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -83.8 23.29 1.01 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.856 0.836 . . . . 25.0 109.191 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 783' ' ' GLY . 7.5 m-20 -80.67 154.53 73.55 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.101 -0.954 . . . . 50.0 110.937 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -64.81 -23.07 62.96 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.281 -1.346 . . . . 50.0 113.349 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -87.13 -45.28 10.83 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.58 90.32 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 120.668 -0.777 . . . . 50.0 114.891 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -65.3 -26.67 68.16 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 118.518 1.159 . . . . 50.0 110.492 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.93 -41.31 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.57 -34.07 71.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.715 -0.675 . . . . 50.0 110.095 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -49.21 76.61 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.815 -1.18 . . . . 50.0 107.815 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.95 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 25.0 111.62 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.27 -40.14 96.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.404 -0.591 . . . . 50.0 109.404 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.57 -42.12 63.35 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 N-CA-C 107.859 -1.163 . . . . 50.0 107.859 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.72 32.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.29 0.567 . . . . 50.0 111.272 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 33.4 t -83.05 -18.41 39.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.434 -0.803 . . . . 50.0 112.451 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.3 pt -99.23 -23.55 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 27.5 m -92.42 23.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.827 0.822 . . . . 50.0 111.192 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.78 64.17 31.19 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 121.952 0.882 . . . . 25.0 108.837 167.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.16 5.87 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.538 2.158 . . . . 50.0 115.977 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -0.77 14.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.109 -1.812 . . . . 50.0 106.109 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 56.32 39.9 30.0 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.083 1.353 . . . . 50.0 114.026 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -6.25 21.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.764 -1.107 . . . . 50.0 112.27 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.02 25.6 63.93 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.926 -0.654 . . . . 50.0 113.83 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.68 152.82 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.741 -0.837 . . . . 50.0 108.741 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 45.0 t -90.73 126.05 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.06 0.457 . . . . 50.0 109.787 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.1 p -105.6 165.65 11.0 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.326 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -50.46 -42.15 53.97 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 114.036 1.124 . . . . 50.0 114.036 178.342 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.51 -18.14 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.173 0.511 . . . . 50.0 110.28 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.6 18.75 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.131 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.421 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 64.6 m-85 -57.08 -33.07 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.517 0.675 . . . . 50.0 110.993 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.8 -32.74 50.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.173 -0.922 . . . . 50.0 111.016 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.55 -46.93 57.86 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.258 -0.883 . . . . 50.0 110.348 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.415 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.0 t80 -75.2 -37.99 60.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.986 0.898 . . . . 50.0 110.673 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -27.41 65.75 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 121.063 -1.023 . . . . 50.0 112.505 177.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -22.51 32.41 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.694 -1.254 . . . . 50.0 110.179 176.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -69.77 -22.14 63.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.737 -0.665 . . . . 50.0 110.613 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.524 ' HB3' HE22 ' A' ' 856' ' ' GLN . 18.2 tp10 -49.67 -30.1 8.51 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.708 1.603 . . . . 50.0 114.671 -179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 76.4 p -70.17 3.69 2.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.11 -152.29 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 121.453 0.644 . . . . 25.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.02 149.0 46.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.331 -2.1 . . . . 50.0 105.331 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.14 163.14 38.44 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -75.9 -41.72 51.1 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.534 1.159 . . . . 25.0 109.513 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 41.0 p -66.7 -16.31 64.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.713 -1.131 . . . . 25.0 110.876 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.409 ' HA ' HG13 ' A' ' 829' ' ' VAL . . . -57.48 -24.52 56.27 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.9 -33.84 72.39 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.897 0.856 . . . . 50.0 110.347 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.84 -38.03 67.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.084 -0.507 . . . . 50.0 111.808 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.409 HG13 ' HA ' ' A' ' 826' ' ' ALA . 12.1 p -81.52 -35.71 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.184 -0.607 . . . . 50.0 111.438 -175.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -66.27 -18.04 65.12 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.722 -0.611 . . . . 50.0 110.842 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.13 -28.93 63.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.256 0.55 . . . . 25.0 109.679 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.7 m -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.458 0.911 . . . . 50.0 113.458 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.35 -26.64 68.85 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.763 -0.586 . . . . 50.0 111.092 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.84 70.12 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.117 -0.698 . . . . 50.0 109.117 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.13 -39.48 28.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.075 -1.454 . . . . 50.0 107.075 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -47.09 85.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.457 -0.792 . . . . 50.0 110.387 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -70.16 -41.95 73.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.048 0.928 . . . . 25.0 109.911 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.3 -86.87 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.607 -0.997 . . . . 25.0 110.607 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -115.03 -24.34 8.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -69.77 150.66 46.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.3 0.572 . . . . 50.0 110.929 -173.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -83.94 2.05 40.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.626 0.973 . . . . 50.0 113.626 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -149.51 161.16 42.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 105.2 -2.148 . . . . 50.0 105.2 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.438 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.5 tp -112.75 150.85 14.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.178 -1.786 . . . . 50.0 106.178 177.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 70.5 p -91.15 154.71 19.15 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.3 mtt -57.55 -34.21 68.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.938 -0.764 . . . . 50.0 108.938 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.67 -33.12 75.21 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.326 -0.852 . . . . 50.0 111.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.438 ' HB2' HG13 ' A' ' 843' ' ' ILE . 41.1 mt-10 -71.45 -36.94 71.41 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.988 -0.445 . . . . 50.0 110.53 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.98 -38.76 83.11 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 107.671 -1.233 . . . . 50.0 107.671 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -75.04 7.24 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.794 0.664 . . . . 50.0 112.794 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.42 -32.66 8.92 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.999 -1.112 . . . . 50.0 107.999 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -93.68 -28.14 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.322 -0.854 . . . . 50.0 110.281 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.5 90.98 46.32 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.74 0.416 . . . . 50.0 111.298 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.69 -28.5 76.66 Favored 'Trans proline' 0 CA--C 1.57 2.279 0 C-N-CA 114.616 -3.123 . . . . 25.0 117.058 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.89 -172.36 1.4 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 116.602 -1.799 . . . . 50.0 116.649 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -16.4 2.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.798 1.639 . . . . 50.0 111.769 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.524 HE22 ' HB3' ' A' ' 819' ' ' GLU . 25.1 mm-40 -54.59 -34.43 61.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.13 82.89 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.766 -0.374 . . . . 25.0 110.818 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.34 -32.87 66.86 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.416 -0.514 . . . . 50.0 112.315 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -50.98 68.94 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.468 -0.938 . . . . 50.0 108.468 172.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.63 -42.67 98.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.959 -0.564 . . . . 50.0 110.455 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.88 -41.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 122.853 0.461 . . . . 50.0 110.212 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -12.13 50.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.443 -0.344 . . . . 50.0 111.808 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.431 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -81.09 153.14 27.49 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.142 -0.349 . . . . 50.0 111.225 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.8 133.13 86.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.338 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.4 88.62 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.549 2.832 . . . . 50.0 115.26 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -89.85 98.37 11.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.281 -1.007 . . . . 50.0 108.281 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 47.6 p -141.54 163.55 32.63 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 157.52 178.21 31.35 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 106.932 -2.467 . . . . 50.0 106.932 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.49 -26.22 17.1 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 CA-C-N 119.401 1.6 . . . . 50.0 113.837 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -89.37 -3.77 58.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.173 0.987 . . . . 50.0 109.412 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 8.3 t -109.26 -175.08 2.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.318 -1.31 . . . . 50.0 108.846 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 156.22 41.82 Favored Pre-proline 0 C--N 1.316 -0.887 0 N-CA-C 105.775 -1.935 . . . . 50.0 105.775 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.38 11.69 1.22 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 N-CA-C 114.168 0.796 . . . . 50.0 114.168 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -145.36 46.64 0.77 Allowed Glycine 0 C--O 1.222 -0.606 0 CA-C-O 119.095 -0.836 . . . . 50.0 114.445 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 139.59 48.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.98 149.96 40.75 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.389 0.144 . . . . 50.0 111.389 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -90.73 110.01 21.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.509 0.671 . . . . 50.0 110.544 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -70.11 -36.43 74.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.659 -1.155 . . . . 50.0 111.926 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -89.26 -25.97 21.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.962 0.727 . . . . 50.0 112.962 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.2 t -103.95 20.27 18.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.651 0.262 . . . . 50.0 110.99 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.431 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 4.4 p90 -44.38 153.58 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.547 2.054 . . . . 50.0 116.547 177.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 8.4 m -68.35 120.35 14.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.806 -1.088 . . . . 50.0 112.974 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.3 p -71.89 -22.11 61.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.373 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -102.72 26.41 8.05 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.633 -0.258 . . . . 25.0 110.702 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.3 mp 59.26 -151.03 0.42 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.265 -1.384 . . . . 50.0 107.265 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -74.1 11.17 0.97 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.274 0.63 . . . . 50.0 112.272 176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -108.15 15.69 36.18 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 120.049 -0.306 . . . . 25.0 112.901 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.23 133.73 54.75 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.105 0.452 . . . . 25.0 110.341 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 1.4 t -162.06 -163.13 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -143.3 173.99 11.12 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.879 -1.526 . . . . 25.0 106.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.451 -0.785 . . . . 25.0 112.154 -176.068 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -2.458 0 CA-C-O 119.162 -0.799 . . . . 25.0 111.4 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 p -66.01 120.54 13.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 119.237 1.519 . . . . 25.0 113.096 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.6 m 62.45 -175.6 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.152 1.381 . . . . 25.0 113.832 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.54 149.21 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.061 -1.088 . . . . 50.0 108.061 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.1 t -95.27 155.94 16.53 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.99 -0.444 . . . . 25.0 109.864 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -28.76 69.91 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 108.54 -0.911 . . . . 50.0 108.54 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.88 -36.72 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.367 -0.379 . . . . 50.0 110.723 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -62.33 -41.61 98.7 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 121.472 0.654 . . . . 50.0 110.038 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.49 -21.04 61.27 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.999 -0.741 . . . . 50.0 108.999 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -42.32 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.714 -0.395 . . . . 50.0 110.632 -175.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -38.39 63.79 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.151 -1.055 . . . . 50.0 108.151 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.4 t80 -70.51 -27.34 64.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.569 0.952 . . . . 50.0 113.569 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -20.92 66.37 Favored 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.458 -0.942 . . . . 50.0 108.458 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.85 -23.33 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 118.454 0.57 . . . . 25.0 109.751 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.4 t -63.07 -13.24 33.56 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.048 -0.407 . . . . 50.0 110.883 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -56.02 -23.76 35.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.483 0.92 . . . . 50.0 113.483 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.72 -13.31 12.68 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.769 0.319 . . . . 50.0 111.399 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.06 -51.93 48.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.175 0.805 . . . . 50.0 113.175 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.52 1.44 38.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.361 -0.381 . . . . 50.0 111.637 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -56.62 103.0 0.09 Allowed 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.839 0.828 . . . . 50.0 111.781 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.531 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 38.8 mtt180 -55.41 -35.6 65.54 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 114.056 -1.429 . . . . 50.0 113.645 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -115.61 -3.09 12.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.848 -0.614 . . . . 75.0 111.025 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.0 t60 60.39 33.04 20.77 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.074 1.509 . . . . 25.0 115.074 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 59.5 p -70.3 -10.43 58.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.341 0.656 . . . . 50.0 112.431 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.83 16.4 56.44 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 107.582 -2.207 . . . . 50.0 107.582 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.95 137.56 13.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.721 -0.74 . . . . 25.0 109.718 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.78 125.59 37.47 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 108.205 -1.035 . . . . 50.0 108.205 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -84.26 -164.71 37.98 Favored Glycine 0 C--O 1.198 -2.097 0 N-CA-C 109.413 -1.475 . . . . 50.0 109.413 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.79 -60.76 0.19 Allowed 'Trans proline' 0 C--N 1.33 -0.444 0 CA-C-N 120.874 2.337 . . . . 50.0 114.881 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.48 -16.88 64.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.963 0.887 . . . . 50.0 110.928 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 7.0 mt-10 -87.26 -46.15 9.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.242 -0.89 . . . . 50.0 109.561 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.36 -42.26 91.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 123.506 0.722 . . . . 50.0 110.768 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -22.43 66.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 116.093 -0.503 . . . . 50.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.65 -35.38 20.96 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.1 t -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.124 0.964 . . . . 50.0 108.555 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 20.6 mt -57.51 -18.8 20.77 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 116.587 2.069 . . . . 50.0 116.587 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.68 -39.23 83.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.797 -0.816 . . . . 50.0 108.797 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.9 m -75.01 -14.2 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.245 -175.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.95 -15.15 22.54 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.254 -0.43 . . . . 50.0 109.989 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.32 50.37 3.86 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 118.948 -1.596 . . . . 25.0 111.056 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.38 160.82 10.19 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.538 2.051 . . . . 50.0 116.538 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.37 13.44 19.46 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.817 0.818 . . . . 25.0 111.321 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.39 174.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.044 -0.98 . . . . 50.0 108.73 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.64 -160.84 9.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.898 -2.081 . . . . 50.0 107.898 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 4.95 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.684 0.742 . . . . 25.0 109.805 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -72.17 148.77 91.59 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 107.005 -1.48 . . . . 50.0 107.005 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.61 -22.9 37.34 Favored 'Trans proline' 0 CA--C 1.521 -0.161 0 CA-C-N 118.363 0.451 . . . . 50.0 112.257 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.18 -39.91 82.39 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.984 -0.747 . . . . 50.0 108.984 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -84.08 -30.94 27.13 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.264 -0.97 . . . . 50.0 112.657 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.97 -26.23 68.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 118.461 1.13 . . . . 50.0 110.675 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -76.01 -34.76 59.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.175 -0.92 . . . . 50.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.403 ' HA ' HD11 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.04 -43.22 95.5 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.769 -1.197 . . . . 50.0 107.769 175.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.54 -32.12 71.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.09 0.471 . . . . 25.0 111.416 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 792' ' ' PHE . 16.2 mt -71.48 -41.63 72.82 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.027 -0.731 . . . . 50.0 109.027 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -23.0 27.3 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.115 0.484 . . . . 50.0 111.271 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.6 t -80.84 -29.71 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 50.0 111.621 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -91.01 -23.49 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.811 -0.555 . . . . 50.0 111.91 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.6 m -91.71 24.21 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 122.284 1.04 . . . . 50.0 109.712 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -130.94 68.51 81.96 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.232 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.66 0.47 4.81 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 N-CA-C 114.743 1.017 . . . . 50.0 114.743 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -115.21 -4.03 12.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.028 0.831 . . . . 50.0 109.594 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 51.75 41.48 29.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.112 0.965 . . . . 50.0 112.863 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.87 -10.33 24.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.755 -1.112 . . . . 50.0 108.946 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.78 21.89 51.75 Favored Glycine 0 N--CA 1.458 0.127 0 CA-C-N 115.901 -0.591 . . . . 50.0 113.463 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.91 152.92 15.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.908 -0.405 . . . . 50.0 109.908 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.12 129.46 43.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 -176.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.477 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -110.58 165.46 11.79 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.639 -0.709 . . . . 25.0 112.316 -177.602 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -49.84 -40.06 40.98 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 114.952 1.464 . . . . 50.0 114.952 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.477 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.6 OUTLIER -76.91 -15.98 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.599 . . . . 50.0 110.578 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -90.04 -37.25 14.41 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.157 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.432 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 65.2 m-85 -57.31 -32.22 66.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.374 0.606 . . . . 50.0 111.496 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 8.7 mm -59.94 -33.41 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.486 -0.779 . . . . 50.0 111.014 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.17 -46.06 53.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.02 -0.991 . . . . 50.0 111.056 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -74.65 -41.05 61.05 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.315 0.579 . . . . 50.0 110.221 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -34.02 58.64 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.59 0.959 . . . . 50.0 113.59 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.2 t -80.88 -19.71 43.86 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.337 -1.477 . . . . 50.0 110.603 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.76 -21.55 55.05 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.602 -0.272 . . . . 50.0 111.226 176.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.465 ' HB3' HE21 ' A' ' 856' ' ' GLN . 10.6 tt0 -58.86 -9.73 2.0 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.836 1.254 . . . . 50.0 112.923 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.4 p -70.91 1.36 5.67 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.288 -0.882 . . . . 25.0 112.72 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -112.97 152.26 29.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.93 -1.137 . . . . 25.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.2 158.62 27.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.092 0.473 . . . . 50.0 111.716 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.08 163.77 35.21 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.477 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -64.03 -34.61 78.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.486 1.136 . . . . 25.0 109.727 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 3.3 p -77.08 -13.41 59.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.717 -1.129 . . . . 25.0 112.39 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.87 -21.8 63.63 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.68 -33.56 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.911 0.862 . . . . 50.0 110.151 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -73.18 -40.61 64.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.868 -0.606 . . . . 50.0 112.541 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.6 p -77.17 -33.18 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.618 -0.433 . . . . 50.0 109.868 -175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 46.6 mtt -67.69 -6.07 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 50.0 112.015 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.19 64.33 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.928 -0.483 . . . . 25.0 110.971 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.5 p -60.33 -28.0 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.085 0.469 . . . . 50.0 111.337 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -66.86 -22.79 65.97 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.183 -0.323 . . . . 50.0 111.086 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -36.69 68.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.779 -1.193 . . . . 50.0 107.779 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.05 -43.18 89.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.179 -1.045 . . . . 50.0 108.179 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.61 -46.04 90.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 50.0 111.938 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.27 90.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.816 0.817 . . . . 25.0 109.367 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.58 -86.57 1.04 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.978 -0.629 . . . . 25.0 112.076 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.91 -19.6 10.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -73.78 155.22 39.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.197 0.522 . . . . 50.0 109.806 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -90.85 3.11 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.415 0.894 . . . . 50.0 113.415 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -148.31 161.21 41.99 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 105.488 -2.042 . . . . 50.0 105.488 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -113.04 150.69 15.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 106.682 -1.599 . . . . 50.0 106.682 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.1 p -89.16 150.37 22.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 105.68 -1.971 . . . . 25.0 105.68 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 56.2 mtt -54.12 -34.82 61.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.483 0.659 . . . . 50.0 110.093 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.76 -27.17 63.73 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.196 0.813 . . . . 50.0 113.196 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.35 -35.03 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.2 -37.79 75.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.818 -1.179 . . . . 50.0 107.818 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -80.18 28.85 0.29 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.266 -0.879 . . . . 50.0 109.532 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -121.8 -35.92 3.12 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 106.755 -1.572 . . . . 50.0 106.755 -176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.44 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -100.62 -21.71 15.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.086 -1.415 . . . . 75.0 108.683 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.44 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 9.6 mt -116.66 81.99 12.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -62.22 -25.69 77.06 Favored 'Trans proline' 0 CA--C 1.576 2.6 0 C-N-CA 113.907 -3.595 . . . . 25.0 117.249 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.15 -167.73 0.51 Allowed 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 117.005 1.887 . . . . 50.0 117.005 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.12 -20.56 26.5 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.278 -1.328 . . . . 50.0 112.218 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.465 HE21 ' HB3' ' A' ' 819' ' ' GLU . 0.6 OUTLIER -58.24 -35.06 71.16 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.268 -0.573 . . . . 50.0 111.336 179.411 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.26 -51.3 69.91 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.464 0.649 . . . . 25.0 111.324 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . 0.434 ' H ' ' HG2' ' A' ' 858' ' ' GLU . 5.3 pt-20 -77.07 -32.05 56.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.727 -0.669 . . . . 50.0 112.087 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.96 74.71 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.5 -1.296 . . . . 50.0 107.5 171.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.71 -44.26 86.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 50.0 110.801 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 31.2 mt -58.21 -42.5 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.924 0.392 . . . . 50.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.1 71.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -97.27 -15.55 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.827 -0.545 . . . . 50.0 111.129 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.448 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 6.9 ttm -69.85 154.82 41.44 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.189 -0.319 . . . . 50.0 111.347 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.02 137.64 76.02 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.187 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.14 91.62 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 125.206 3.937 . . . . 50.0 112.912 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -89.99 107.81 19.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.659 1.218 . . . . 50.0 113.869 -177.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 81.2 p -125.98 166.12 17.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.123 -1.806 . . . . 25.0 106.123 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 152.48 179.28 27.94 Favored Glycine 0 C--O 1.226 -0.388 0 C-N-CA 120.324 -0.941 . . . . 50.0 111.807 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.85 -22.81 17.13 Favored 'Trans proline' 0 C--O 1.221 -0.357 0 C-N-CA 122.519 2.146 . . . . 50.0 115.148 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.51 4.11 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.196 -1.039 . . . . 50.0 108.196 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 8.7 t -95.99 175.11 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.771 -1.104 . . . . 50.0 109.804 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.82 157.16 79.06 Favored Pre-proline 0 CA--C 1.494 -1.19 0 CA-C-N 114.645 -1.161 . . . . 50.0 108.138 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.92 140.69 46.57 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 115.481 -2.546 . . . . 50.0 109.542 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 81.66 35.13 23.29 Favored Glycine 0 C--O 1.226 -0.353 0 C-N-CA 120.385 -0.912 . . . . 50.0 112.5 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 136.32 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.6 mt -141.95 152.04 43.13 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.949 0.099 . . . . 50.0 110.996 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.31 107.15 18.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 121.598 0.713 . . . . 50.0 111.727 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -64.64 -34.98 79.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.489 -1.232 . . . . 50.0 111.703 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -95.92 -15.0 22.67 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.627 1.343 . . . . 50.0 114.627 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.4 t -114.32 20.21 15.68 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.681 -0.488 . . . . 50.0 109.681 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.6 p90 -48.4 156.55 0.41 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.888 1.07 . . . . 50.0 113.888 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 51.9 p -107.61 147.66 30.35 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 115.962 1.838 . . . . 50.0 115.962 -170.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.5 p -93.73 7.49 44.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 25.0 108.703 174.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -75.61 -23.13 56.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.996 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.6 mp 66.54 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 116.135 1.902 . . . . 50.0 116.135 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 57.52 30.63 19.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.376 -1.284 . . . . 50.0 111.684 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -93.22 48.64 2.41 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 114.887 -1.051 . . . . 25.0 115.067 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.23 -11.13 60.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.876 0.838 . . . . 25.0 111.617 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 48.9 m -144.74 154.37 42.65 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -117.36 -162.93 0.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.814 0.845 . . . . 25.0 110.771 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.578 -0.725 . . . . 25.0 110.862 -175.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.882 0 CA-C-O 118.626 -1.097 . . . . 25.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 9.1 m -28.85 90.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 119.167 3.025 . . . . 25.0 119.167 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t -162.94 132.36 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.623 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.21 156.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.918 -0.583 . . . . 50.0 109.638 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.1 t -101.01 163.1 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.027 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.39 -33.4 75.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.906 -0.775 . . . . 50.0 108.906 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.18 -38.34 56.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.448 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.9 tp60 -59.82 -42.19 92.97 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.426 0.454 . . . . 50.0 110.755 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' MET . . . . . 0.418 ' HE2' HG22 ' A' ' 813' ' ' ILE . 6.8 ptp -73.2 -22.11 60.53 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.601 -0.888 . . . . 50.0 108.601 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -41.32 30.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.991 -0.284 . . . . 50.0 111.695 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.76 -35.0 45.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.157 -0.683 . . . . 50.0 109.157 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -70.8 -28.09 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.042 0.756 . . . . 50.0 113.042 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -19.96 64.93 Favored 'General case' 0 C--O 1.199 -1.589 0 O-C-N 121.24 -0.913 . . . . 50.0 109.087 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.27 61.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.766 0.712 . . . . 25.0 109.821 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -14.05 48.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.039 -0.413 . . . . 50.0 110.262 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -23.74 51.8 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.046 0.758 . . . . 50.0 113.046 173.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.28 -16.81 13.65 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.699 0.285 . . . . 50.0 111.631 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -63.99 -51.59 63.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.822 0.675 . . . . 50.0 112.822 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.09 0.92 30.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 50.0 111.556 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -56.99 103.91 0.13 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.835 0.826 . . . . 50.0 112.118 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.516 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 36.4 mtt180 -53.51 -38.46 63.74 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 114.206 -1.361 . . . . 50.0 114.37 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -118.99 3.98 11.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.353 0.408 . . . . 50.0 111.258 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 57.68 41.34 25.51 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 122.06 0.933 . . . . 25.0 113.289 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -13.75 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 50.0 110.819 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.43 15.01 57.8 Favored Glycine 0 C--O 1.228 -0.248 0 N-CA-C 107.735 -2.146 . . . . 50.0 107.735 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.7 p -155.94 138.16 14.72 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.23 129.45 35.8 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 108.255 -1.017 . . . . 50.0 108.255 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . 0.537 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.76 -168.34 43.49 Favored Glycine 0 C--O 1.198 -2.127 0 N-CA-C 109.6 -1.4 . . . . 50.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.71 -57.58 0.43 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 120.813 2.307 . . . . 50.0 115.26 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -68.65 -16.8 63.95 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.996 0.903 . . . . 50.0 109.894 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 4.8 mt-10 -88.53 -45.78 9.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.091 -0.959 . . . . 50.0 110.619 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -58.63 -41.44 86.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.934 0.894 . . . . 50.0 109.994 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -21.95 66.23 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.295 -0.412 . . . . 50.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.55 -35.63 20.97 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.68 -48.11 82.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.528 -0.916 . . . . 50.0 108.528 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.36 -18.74 18.83 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 116.773 2.138 . . . . 50.0 116.773 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.3 -38.66 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.235 -1.024 . . . . 50.0 108.235 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.6 m -76.95 -9.05 58.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.828 -0.624 . . . . 25.0 112.03 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.38 -9.41 22.26 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.855 -0.424 . . . . 50.0 109.855 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 79.2 41.98 12.86 Favored Glycine 0 C--O 1.225 -0.456 0 C-N-CA 118.601 -1.762 . . . . 25.0 111.242 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 163.87 0.8 Allowed 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 117.635 2.457 . . . . 50.0 117.635 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -99.45 17.92 19.1 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.565 0.698 . . . . 25.0 111.16 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.68 170.98 18.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.361 -0.836 . . . . 50.0 109.757 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -167.18 -164.9 23.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 106.924 -2.47 . . . . 50.0 106.924 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -87.92 55.21 3.37 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -114.04 153.38 46.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.089 -1.414 . . . . 50.0 107.548 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.06 -23.97 66.98 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.604 -1.131 . . . . 50.0 114.147 -175.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.04 -46.68 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.743 -0.466 . . . . 50.0 109.743 175.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.09 -29.88 73.63 Favored Glycine 0 C--O 1.212 -1.265 0 N-CA-C 116.002 1.161 . . . . 50.0 116.002 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.59 -28.33 69.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.933 1.366 . . . . 50.0 110.659 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.85 -42.89 48.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.72 -33.61 71.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.434 -0.803 . . . . 50.0 110.091 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -48.85 74.4 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 122.359 1.076 . . . . 50.0 109.913 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.95 66.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.835 -176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.57 -38.71 91.96 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 109.129 -0.693 . . . . 50.0 109.129 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.5 mt -76.26 -36.95 31.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -23.83 44.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 123.691 1.71 . . . . 50.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.7 t -82.13 -21.69 36.53 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 113.573 -1.649 . . . . 50.0 114.103 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.92 -24.95 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.458 0 CA-C-O 125.374 2.511 . . . . 50.0 107.183 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . 0.56 ' HA ' ' HB2' ' A' ' 811' ' ' ALA 0.295 0.5 OUTLIER -94.19 11.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 CA-C-N 110.995 -2.821 . . . . 75.0 111.351 -174.928 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -128.09 61.48 52.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 125.237 1.585 . . . . 25.0 107.711 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.05 -1.56 10.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 117.49 -1.207 . . . . 50.0 114.658 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.17 -3.87 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 57.15 39.57 28.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.99 0.916 . . . . 50.0 112.922 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.0 -7.28 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.883 -1.053 . . . . 50.0 108.659 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.44 21.14 65.09 Favored Glycine 0 C--O 1.235 0.16 0 C-N-CA 120.954 -0.641 . . . . 50.0 113.406 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.88 152.88 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.185 -1.043 . . . . 50.0 108.185 -178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . 0.405 HG12 ' CZ ' ' A' ' 812' ' ' PHE . 48.8 t -91.85 125.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 122.914 0.486 . . . . 50.0 111.829 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.458 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -104.38 167.25 9.87 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.494 0.664 . . . . 25.0 111.861 -179.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.529 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.7 OUTLIER -60.96 -30.44 70.25 Favored 'General case' 0 C--O 1.198 -1.606 0 N-CA-C 118.512 2.782 . . . . 50.0 118.512 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.458 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 1.2 pt20 -78.44 -14.99 59.12 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.769 -0.826 . . . . 50.0 108.769 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 799' ' ' VAL . . . -87.88 -62.49 1.48 Allowed 'General case' 0 C--O 1.198 -1.657 0 CA-C-N 114.956 -1.02 . . . . 25.0 110.7 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.529 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 69.2 m-85 -33.49 -35.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 116.186 1.921 . . . . 50.0 116.186 173.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.418 HG22 ' HE2' ' A' ' 748' ' ' MET . 19.8 mm -57.43 -35.3 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.629 0.771 . . . . 50.0 110.993 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -45.35 -51.98 10.45 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 121.74 0.781 . . . . 50.0 109.773 173.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -69.65 -43.68 72.09 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.455 0.645 . . . . 50.0 111.155 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -31.16 61.52 Favored 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 113.7 1.0 . . . . 50.0 113.7 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.7 t -82.71 -20.81 35.35 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.438 -1.413 . . . . 50.0 109.697 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -73.61 -21.51 60.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.607 -0.269 . . . . 50.0 110.481 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.426 ' HB3' HE21 ' A' ' 856' ' ' GLN . 0.9 OUTLIER -59.41 -14.3 11.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.354 1.062 . . . . 50.0 112.235 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 64.1 p -73.92 -3.56 29.71 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.925 -0.484 . . . . 25.0 111.443 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.2 132.07 48.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -65.55 141.69 58.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 50.0 110.726 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 3.7 m -140.13 157.04 46.25 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 122.493 1.139 . . . . 25.0 110.2 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -15.77 63.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.591 -1.186 . . . . 25.0 112.986 177.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.8 65.98 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.344 -0.222 . . . . 25.0 111.452 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.5 -33.07 70.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.995 0.903 . . . . 50.0 110.027 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -69.69 -40.41 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 50.0 112.057 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.48 -32.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.467 -0.938 . . . . 50.0 108.467 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 40.5 mtm -61.79 -18.85 61.47 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 111.711 0.263 . . . . 50.0 111.711 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.84 -19.44 4.4 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 90.5 p -52.68 -30.39 31.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.944 0.498 . . . . 50.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -22.24 66.03 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.4 -0.813 . . . . 50.0 112.669 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -79.9 -34.79 38.77 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 120.978 -1.076 . . . . 50.0 108.592 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.29 -43.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.79 -46.45 89.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.36 -0.382 . . . . 50.0 111.692 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.2 92.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.873 0.844 . . . . 25.0 109.239 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.65 -91.31 0.96 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 25.0 110.802 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -115.08 -6.59 12.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -84.25 155.11 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.504 -0.747 . . . . 50.0 109.56 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.33 1.45 54.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.491 1.293 . . . . 50.0 114.491 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -146.76 161.28 40.95 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 106.08 -1.822 . . . . 50.0 106.08 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -113.34 151.2 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 106.381 -1.711 . . . . 50.0 106.381 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.6 p -91.61 150.86 20.97 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 105.649 -1.982 . . . . 25.0 105.649 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.6 mtt -55.56 -34.19 64.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.513 0.673 . . . . 50.0 109.215 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.41 -32.59 74.27 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.291 -0.868 . . . . 50.0 112.779 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.55 -39.0 74.22 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.862 -0.524 . . . . 50.0 110.482 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.33 -35.53 79.59 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.335 -0.987 . . . . 50.0 108.335 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -80.74 20.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 50.0 111.088 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -109.97 -42.36 4.24 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.743 -1.206 . . . . 50.0 107.743 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -90.96 -27.25 18.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.95 -1.023 . . . . 50.0 109.775 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 86.47 41.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 50.0 111.191 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.9 -23.24 68.44 Favored 'Trans proline' 0 CA--C 1.581 2.873 0 C-N-CA 113.876 -3.616 . . . . 25.0 117.732 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 33.1 Cg_endo -82.16 -164.61 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 116.891 1.843 . . . . 50.0 116.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.69 -28.89 50.89 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 113.996 1.109 . . . . 50.0 113.996 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 819' ' ' GLU . 10.6 mp0 -54.94 -31.24 60.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 122.065 -0.397 . . . . 75.0 110.925 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.39 -48.26 65.18 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.371 -0.831 . . . . 25.0 111.984 176.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.45 -34.73 76.48 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.34 -0.544 . . . . 50.0 110.772 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -51.75 67.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 50.0 109.499 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -44.09 95.27 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.282 -0.417 . . . . 50.0 110.575 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.1 mt -60.0 -42.51 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 122.734 0.414 . . . . 50.0 110.578 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.092 -0.504 . . . . 25.0 111.598 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -11.56 58.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.253 0.464 . . . . 50.0 112.253 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.417 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -77.09 150.54 35.65 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.434 0.531 . . . . 50.0 112.434 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -72.61 141.59 82.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.954 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.86 92.11 1.15 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 124.926 3.75 . . . . 50.0 116.007 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.01 107.75 19.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.691 0.758 . . . . 50.0 111.383 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -133.44 162.63 31.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.196 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 142.0 174.5 14.73 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 110.959 -0.856 . . . . 50.0 110.959 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.77 -20.05 17.83 Favored 'Trans proline' 0 C--O 1.219 -0.436 0 C-N-CA 122.529 2.153 . . . . 50.0 113.536 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -91.31 2.05 56.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.946 -1.502 . . . . 50.0 106.946 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 5.5 t -119.58 -172.58 2.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.13 -1.395 . . . . 50.0 108.925 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.1 m -124.31 157.0 66.09 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 106.086 -1.82 . . . . 50.0 106.086 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.15 18.39 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 121.44 1.427 . . . . 50.0 115.309 -174.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -152.61 47.86 0.55 Allowed Glycine 0 C--O 1.221 -0.715 0 N-CA-C 108.606 -1.798 . . . . 50.0 108.606 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 139.48 48.49 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.546 0.738 . . . . 25.0 109.042 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.5 mt -142.04 153.21 44.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.236 -0.438 . . . . 50.0 111.151 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -89.88 106.57 18.56 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.731 0.777 . . . . 50.0 110.374 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -68.64 -35.72 77.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.331 -1.304 . . . . 50.0 112.324 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -90.81 -22.57 20.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.862 1.06 . . . . 50.0 113.862 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.7 t -108.78 20.47 18.45 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 50.0 110.238 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.0 p90 -47.01 154.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.634 1.716 . . . . 50.0 115.634 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 38.0 t -78.98 109.04 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 50.0 113.672 -174.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.41 -17.82 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.918 -1.142 . . . . 25.0 107.918 172.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -84.17 6.87 20.85 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.703 -0.68 . . . . 25.0 110.831 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.1 mp 63.62 -173.61 0.16 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.971 0.908 . . . . 50.0 111.53 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -72.53 34.43 0.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.959 1.304 . . . . 50.0 112.918 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -88.01 -21.47 45.94 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.066 -0.588 . . . . 25.0 113.752 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -81.57 126.54 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.396 -0.473 . . . . 25.0 111.859 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 61.0 p -162.58 161.43 26.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.072 -1.085 . . . . 25.0 108.072 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -148.66 137.01 21.16 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 105.17 -2.159 . . . . 25.0 105.17 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.109 -0.948 . . . . 25.0 112.224 -176.023 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.487 -0.245 . . . . 25.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' SER . . . . . 0.457 ' H ' ' CG ' ' A' ' 855' ' ' ASP . 91.1 p -124.08 -3.34 8.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.172 0.989 . . . . 25.0 111.727 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 t 63.92 -156.89 0.31 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.171 0.988 . . . . 25.0 110.627 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.36 148.01 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.719 0.771 . . . . 50.0 110.565 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -93.3 157.04 16.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -30.82 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.105 -0.702 . . . . 50.0 109.105 177.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.72 -36.72 36.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.521 -0.472 . . . . 50.0 110.475 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -60.16 -38.33 82.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.537 0.684 . . . . 50.0 110.514 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.9 ptp -76.96 -21.61 54.49 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.246 -1.02 . . . . 50.0 108.246 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . 0.539 ' HA ' ' HD2' ' A' ' 752' ' ' ARG . 0.2 OUTLIER -82.67 -29.64 29.82 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.638 -0.664 . . . . 50.0 111.9 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.41 -33.37 25.74 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 105.706 -1.961 . . . . 50.0 105.706 174.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 31.5 t80 -81.83 -24.23 35.97 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.02 1.859 . . . . 50.0 116.02 -175.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . 0.539 ' HD2' ' HA ' ' A' ' 749' ' ' ASN . 0.0 OUTLIER -68.74 -16.97 63.97 Favored 'General case' 1 N--CA 1.363 -4.823 0 C-N-CA 115.544 -2.463 . . . . 75.0 111.373 179.459 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.48 63.73 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -59.4 -14.7 13.04 Favored 'General case' 0 C--N 1.255 -3.535 0 C-N-CA 125.271 1.428 . . . . 50.0 110.034 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 812' ' ' PHE . 2.5 p90 -56.47 -24.88 48.75 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 114.138 1.162 . . . . 50.0 114.138 171.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -6.92 12.97 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.205 0.941 . . . . 50.0 111.006 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.57 -55.34 5.61 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.132 -0.486 . . . . 50.0 112.081 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . 0.402 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 1.0 OUTLIER -104.08 1.09 30.5 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 119.724 -0.79 . . . . 50.0 112.173 -177.471 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . 0.416 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.9 t0 -47.05 102.53 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.953 1.358 . . . . 50.0 112.488 174.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.478 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 13.1 ttp180 -53.62 -35.79 61.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.65 -2.068 . . . . 50.0 113.771 -175.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.76 3.97 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 50.0 111.343 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 58.17 36.08 25.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 73.7 p -73.85 -6.77 49.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.027 0.531 . . . . 50.0 111.998 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.49 2.68 61.62 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 109.448 -1.461 . . . . 50.0 109.448 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.2 p -155.71 156.48 34.97 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.715 0.806 . . . . 25.0 109.543 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 759' ' ' ASP . 1.3 mm? -104.86 147.5 27.67 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.328 -0.949 . . . . 50.0 108.92 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . 0.481 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -88.65 -163.65 39.56 Favored Glycine 0 C--N 1.304 -1.203 0 N-CA-C 106.932 -2.467 . . . . 50.0 106.932 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.94 -55.85 0.24 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 CA-C-N 121.174 2.487 . . . . 50.0 112.609 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.47 -17.28 64.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.08 0.943 . . . . 50.0 110.569 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.481 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.7 mt-10 -88.75 -52.77 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 116.436 -1.745 . . . . 50.0 111.692 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.592 ' CG ' HG13 ' A' ' 807' ' ' VAL . 30.2 t80 -52.51 -37.78 58.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 123.023 2.647 . . . . 50.0 114.489 174.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -21.77 66.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.168 -1.049 . . . . 50.0 108.168 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.23 18.88 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 39.2 t -56.21 -48.66 76.0 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.562 1.172 . . . . 50.0 109.043 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 21.8 mt -60.98 -18.8 59.5 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.741 2.497 . . . . 50.0 117.741 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.34 -39.18 84.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.186 -1.042 . . . . 50.0 108.186 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.4 m -79.15 -4.64 51.44 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.332 -0.849 . . . . 25.0 111.792 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.9 -11.37 15.73 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 116.011 -0.54 . . . . 50.0 110.541 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . 0.407 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 86.25 50.9 3.69 Favored Glycine 0 C--O 1.22 -0.749 0 C-N-CA 118.681 -1.724 . . . . 25.0 113.092 177.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.41 159.92 25.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 118.366 2.728 . . . . 50.0 118.366 -179.706 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -89.49 10.13 23.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.784 0.834 . . . . 25.0 111.132 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.54 171.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.303 -0.862 . . . . 50.0 111.357 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.77 -163.16 12.34 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 105.997 -2.841 . . . . 50.0 105.997 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -84.72 10.14 12.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 117.636 0.718 . . . . 25.0 109.553 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.14 150.74 91.72 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.657 -0.701 . . . . 50.0 109.344 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.09 -22.92 61.35 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.702 -1.065 . . . . 50.0 113.424 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.67 -45.08 13.83 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.738 -0.838 . . . . 50.0 108.738 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.61 94.17 Favored Glycine 0 C--O 1.209 -1.433 0 C-N-CA 121.015 -0.612 . . . . 50.0 113.937 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.6 -25.78 66.78 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 118.407 1.104 . . . . 50.0 111.633 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.99 -40.51 46.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . 0.406 ' CD ' HH12 ' A' ' 794' ' ' ARG . 24.6 mm-40 -68.28 -38.27 81.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.854 -0.795 . . . . 50.0 108.854 178.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.425 ' HA ' HD13 ' A' ' 795' ' ' ILE . 0.2 OUTLIER -62.54 -40.87 98.2 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.2 73.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.428 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . 0.406 HH12 ' CD ' ' A' ' 791' ' ' GLU . 40.5 ttp-105 -62.33 -44.59 96.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.556 -0.905 . . . . 50.0 108.556 175.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 792' ' ' PHE . 10.9 mt -67.36 -38.01 80.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 N-CA-C 109.383 -0.599 . . . . 50.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -28.22 50.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.089 0.471 . . . . 50.0 110.384 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.0 t -81.0 -29.83 35.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.504 0.557 . . . . 50.0 112.504 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.1 pt -83.1 -25.0 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.595 0.634 . . . . 50.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.33 16.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-O 122.139 0.971 . . . . 50.0 109.389 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -119.45 53.43 2.33 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.491 175.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.07 -1.4 10.48 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 116.706 -1.73 . . . . 50.0 114.367 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -108.66 -2.11 18.97 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.273 -1.01 . . . . 50.0 108.273 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 57.42 40.68 27.18 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.171 1.174 . . . . 50.0 114.171 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -8.19 15.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.518 -1.219 . . . . 50.0 111.36 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.22 26.67 61.3 Favored Glycine 0 C--O 1.238 0.364 0 CA-C-N 116.069 -0.514 . . . . 50.0 112.949 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.07 154.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 121.967 -0.725 . . . . 50.0 111.588 -178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . 0.647 ' CG2' ' CZ ' ' A' ' 812' ' ' PHE . 2.3 m -87.36 127.85 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.089 -1.449 . . . . 75.0 107.089 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.559 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -111.76 173.72 6.22 Favored 'General case' 0 C--O 1.185 -2.303 0 O-C-N 124.942 1.401 . . . . 25.0 108.868 176.439 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -54.48 -37.67 65.51 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 114.133 -1.394 . . . . 50.0 112.46 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.559 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.1 OUTLIER -78.74 -14.86 59.05 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.885 -0.326 . . . . 50.0 110.724 177.37 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.68 -41.49 15.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 122.227 1.013 . . . . 25.0 109.58 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.647 ' CZ ' ' CG2' ' A' ' 807' ' ' VAL . 59.6 m-85 -51.39 -40.87 60.13 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.853 -1.067 . . . . 50.0 113.45 176.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 9.1 mm -62.51 -31.17 51.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.098 0.951 . . . . 50.0 111.427 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.31 -33.44 53.37 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.934 -1.03 . . . . 50.0 110.762 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -83.2 -48.38 10.56 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 120.706 0.289 . . . . 50.0 110.325 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -48.08 -34.67 9.99 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.557 2.058 . . . . 50.0 116.557 -177.519 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.9 t -75.15 -19.63 59.78 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 120.375 -1.453 . . . . 50.0 111.702 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -78.5 -18.15 55.21 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.828 0.451 . . . . 50.0 110.164 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.502 ' HB3' HE21 ' A' ' 856' ' ' GLN . 11.4 tp10 -49.67 -30.39 8.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 124.585 1.154 . . . . 50.0 112.243 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.5 p -68.12 4.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.1 -109.2 0.07 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 122.69 0.396 . . . . 25.0 111.544 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -157.76 142.46 16.48 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.344 -0.984 . . . . 50.0 108.344 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.18 145.85 16.86 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.44 -46.64 87.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.596 1.189 . . . . 25.0 111.524 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' THR . . . . . 0.407 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 13.7 p -72.03 -16.1 62.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.522 -1.217 . . . . 25.0 112.135 -177.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.92 -22.06 65.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.686 0.279 . . . . 25.0 111.5 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.5 -35.28 75.56 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.877 0.846 . . . . 50.0 110.415 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.7 -40.59 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.944 -0.473 . . . . 50.0 111.717 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.47 -29.21 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 108.254 -1.017 . . . . 50.0 108.254 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -19.01 64.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.832 0.679 . . . . 50.0 112.832 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.67 -19.35 1.53 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 78.0 p -54.14 -27.69 35.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.802 0.441 . . . . 50.0 112.117 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . 0.41 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -60.01 -23.01 63.32 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.281 0.845 . . . . 50.0 113.281 178.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -77.06 -36.03 56.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.992 -1.067 . . . . 50.0 109.071 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.23 -42.56 91.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.45 -46.68 87.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.525 0.565 . . . . 50.0 112.525 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.52 -44.08 88.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.607 0.717 . . . . 25.0 109.305 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.01 -89.72 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.593 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -115.0 -11.69 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -79.76 155.31 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 50.0 111.54 -172.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.6 -0.91 52.52 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.878 1.436 . . . . 50.0 114.878 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -154.65 161.1 41.73 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 105.849 -1.908 . . . . 50.0 105.849 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 847' ' ' GLU . 4.4 tp -110.4 148.43 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.889 -1.523 . . . . 50.0 106.889 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.8 p -90.82 150.8 21.42 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.9 mtt -56.25 -30.1 61.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.798 0.332 . . . . 50.0 110.512 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -34.73 79.03 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 122.759 0.424 . . . . 50.0 111.971 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.4 ' HB2' HG13 ' A' ' 843' ' ' ILE . 16.8 mt-10 -71.07 -36.86 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.067 -0.396 . . . . 50.0 110.835 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.16 -41.3 86.25 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 107.405 -1.331 . . . . 50.0 107.405 176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.4 mtp-105 -80.64 32.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.623 0.769 . . . . 50.0 111.114 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -132.6 -33.36 1.24 Allowed 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.752 -1.573 . . . . 50.0 106.752 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.434 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -97.79 -21.51 16.91 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.621 -1.252 . . . . 50.0 107.621 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.434 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 12.4 mt -117.87 86.49 25.06 Favored Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.903 0.382 . . . . 50.0 110.682 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.86 -24.02 74.33 Favored 'Trans proline' 0 CA--C 1.576 2.593 0 C-N-CA 114.194 -3.404 . . . . 25.0 117.472 169.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.67 -167.88 0.47 Allowed 'Trans proline' 0 C--N 1.365 1.445 0 N-CA-C 116.876 1.837 . . . . 50.0 116.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 741' ' ' SER . 69.6 m-20 -57.03 -16.33 6.96 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.718 1.377 . . . . 50.0 114.718 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.502 HE21 ' HB3' ' A' ' 819' ' ' GLU . 0.9 OUTLIER -60.02 -27.26 66.75 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.619 -0.832 . . . . 50.0 109.143 176.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.92 -48.17 77.66 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.864 -0.522 . . . . 25.0 111.607 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.78 -35.14 74.63 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.353 -0.539 . . . . 50.0 110.5 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -51.54 67.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.019 -0.734 . . . . 50.0 109.019 174.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.37 -43.87 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.393 -0.192 . . . . 50.0 111.298 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.55 -41.29 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.759 0.314 . . . . 50.0 110.254 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.98 79.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.36 -8.45 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.762 0.653 . . . . 50.0 112.762 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.476 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.7 ttm -81.05 153.19 27.51 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.39 -0.819 . . . . 50.0 112.279 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.9 139.55 73.48 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 120.443 -0.503 . . . . 25.0 110.941 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.58 92.1 1.04 Allowed 'Trans proline' 0 C--O 1.233 0.268 1 C-N-CA 125.341 4.027 . . . . 50.0 114.403 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -90.67 113.92 26.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.485 1.135 . . . . 50.0 113.313 -178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 74.0 p -135.24 139.43 44.45 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 105.449 -2.056 . . . . 25.0 105.449 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 165.52 -175.23 41.29 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 109.23 -1.548 . . . . 50.0 109.23 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.56 -23.48 12.85 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 122.724 2.283 . . . . 50.0 114.773 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -87.8 -25.58 23.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.407 1.099 . . . . 50.0 108.315 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 64.2 m -87.55 165.89 15.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.763 -1.562 . . . . 50.0 109.908 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.6 m -125.62 161.69 49.2 Favored Pre-proline 0 CA--C 1.482 -1.656 0 N-CA-C 106.862 -1.533 . . . . 50.0 106.862 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.6 132.18 30.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 114.182 -3.412 . . . . 50.0 108.091 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 86.69 37.34 8.72 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.719 -0.753 . . . . 50.0 111.992 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 139.45 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.92 149.9 40.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.704 -0.226 . . . . 50.0 110.94 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -88.18 110.27 20.56 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 121.593 0.711 . . . . 50.0 110.567 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . 0.41 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 51.9 p90 -70.24 -36.7 74.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.508 -1.224 . . . . 50.0 111.456 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -91.01 -16.39 28.02 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.88 1.067 . . . . 50.0 113.88 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.1 t -114.3 21.14 14.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.432 -0.581 . . . . 50.0 109.432 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.476 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.4 p90 -52.26 159.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 122.032 0.92 . . . . 50.0 113.112 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.2 m -78.26 114.42 17.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.391 -0.822 . . . . 50.0 109.905 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 65.4 p -71.06 -11.54 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.574 0.702 . . . . 25.0 109.382 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -104.39 138.5 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.025 -1.843 . . . . 25.0 106.025 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.17 154.11 28.25 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 50.0 110.401 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -46.09 -39.05 8.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.025 -0.989 . . . . 50.0 112.23 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 68.25 -152.76 52.66 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.508 0.505 . . . . 25.0 113.623 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -135.39 147.69 49.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.38 -2.452 . . . . 25.0 104.38 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 55.6 p -158.32 162.5 37.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -151.04 171.35 17.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.247 0 O-C-N 124.538 1.149 . . . . 25.0 112.438 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . 0.428 ' H3 ' ' CG ' ' A' ' 855' ' ' ASP . . . . . . . . 0 N--CA 1.507 3.423 0 CA-C-O 120.14 -0.256 . . . . 25.0 112.482 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 48.0 t -146.09 127.0 14.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.799 -1.926 . . . . 25.0 105.799 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 19.5 p -48.71 -49.78 36.44 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.081 0.467 . . . . 25.0 111.258 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.8 142.26 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 CA-C-O 121.686 0.755 . . . . 50.0 111.639 171.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 83.4 p -97.55 166.58 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.311 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -63.38 -33.65 76.0 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.867 -0.419 . . . . 50.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.95 -40.16 60.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.717 -0.219 . . . . 50.0 111.294 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.8 -40.83 94.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.036 0.446 . . . . 50.0 110.837 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.94 -22.19 58.73 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.198 -1.038 . . . . 50.0 108.198 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -39.19 53.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.679 -0.237 . . . . 50.0 111.114 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.76 -38.1 39.47 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.419 -0.912 . . . . 50.0 109.785 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.41 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 35.9 t80 -67.77 -27.55 66.85 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.701 -0.625 . . . . 50.0 112.626 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.72 -19.82 62.83 Favored 'General case' 0 C--O 1.2 -1.539 0 O-C-N 121.315 -0.865 . . . . 50.0 109.127 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.96 -22.07 63.19 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.454 1.025 . . . . 25.0 110.24 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -16.42 52.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.998 0.427 . . . . 50.0 110.171 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -23.72 43.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.198 0.814 . . . . 50.0 113.198 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.37 -15.61 13.54 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 111.723 0.268 . . . . 50.0 111.723 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -66.04 -49.49 67.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.265 0.839 . . . . 50.0 113.265 -173.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . 0.406 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.04 1.16 30.68 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.498 -0.319 . . . . 50.0 111.195 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -56.85 103.29 0.11 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.843 0.83 . . . . 50.0 112.04 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.54 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 88.0 mtt-85 -57.55 -35.97 71.02 Favored 'General case' 0 CA--C 1.478 -1.796 0 CA-C-N 114.605 -1.179 . . . . 50.0 113.796 -173.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -115.59 5.57 14.39 Favored 'General case' 0 N--CA 1.439 -0.99 0 O-C-N 123.9 0.75 . . . . 50.0 110.614 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.2 p80 51.64 32.19 8.86 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 76.8 p -66.24 -12.91 59.14 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.038 0.755 . . . . 50.0 113.038 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.18 14.99 55.21 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 108.132 -1.987 . . . . 50.0 108.132 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -157.0 136.33 12.07 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.18 130.39 35.07 Favored 'General case' 0 C--O 1.184 -2.347 0 N-CA-C 107.487 -1.301 . . . . 50.0 107.487 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . 0.467 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -82.56 -170.46 45.47 Favored Glycine 0 C--O 1.195 -2.316 0 N-CA-C 109.077 -1.609 . . . . 50.0 109.077 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.54 -57.18 0.61 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 CA-C-N 120.884 2.342 . . . . 50.0 115.25 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -70.74 -16.36 62.76 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.212 1.006 . . . . 50.0 109.433 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.54 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.1 mt-10 -84.82 -47.66 10.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.386 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -58.4 -42.03 86.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 124.356 1.063 . . . . 50.0 111.922 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -22.13 65.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.774 -0.648 . . . . 50.0 109.928 -178.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.64 -32.69 21.89 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . 0.406 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 42.3 t -62.82 -45.05 94.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.177 0.989 . . . . 50.0 108.613 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.69 -18.83 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 116.24 1.941 . . . . 50.0 116.24 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.33 -40.97 89.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.338 -0.986 . . . . 50.0 108.338 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.4 m -79.06 -4.23 49.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.725 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.33 -5.44 19.07 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.359 -0.382 . . . . 50.0 110.234 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.84 51.76 4.39 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 118.545 -1.788 . . . . 25.0 112.171 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.96 164.12 22.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 116.93 2.196 . . . . 50.0 116.93 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -98.02 7.89 45.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.694 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.82 -178.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.536 -0.756 . . . . 50.0 111.087 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . 0.436 ' C ' ' H ' ' A' ' 785' ' ' ASP . . . -175.54 -165.61 31.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 104.087 -3.605 . . . . 50.0 104.087 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -85.84 25.7 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.736 1.268 . . . . 25.0 109.614 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 783' ' ' GLY . 6.3 m-20 -76.18 155.16 84.39 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.753 -1.112 . . . . 50.0 108.973 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -64.68 -26.2 61.12 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.131 -1.446 . . . . 50.0 114.016 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -82.13 -44.7 16.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.296 0.569 . . . . 50.0 109.729 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -71.12 -28.75 69.74 Favored Glycine 0 C--O 1.206 -1.598 0 N-CA-C 116.714 1.445 . . . . 50.0 116.714 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.03 -29.14 70.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 119.25 1.525 . . . . 50.0 110.38 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.27 60.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.798 0.809 . . . . 25.0 109.033 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -73.25 -34.04 65.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.055 -0.975 . . . . 50.0 109.754 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -46.69 82.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.669 -0.863 . . . . 50.0 108.669 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.65 71.25 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.437 -0.347 . . . . 25.0 111.529 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.81 -38.44 91.1 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 177.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 8.4 mt -78.13 -37.33 22.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 106.458 -1.682 . . . . 50.0 106.458 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -23.28 37.81 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 124.295 1.998 . . . . 50.0 111.135 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 11.2 t -81.25 -21.44 39.45 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 112.934 -1.939 . . . . 50.0 113.014 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.4 pt -93.98 -23.79 5.2 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 121.747 2.067 . . . . 50.0 108.23 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . 0.439 ' HA ' ' CB ' ' A' ' 811' ' ' ALA 0.338 0.3 OUTLIER -94.94 15.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 110.028 -3.26 . . . . 75.0 110.374 -173.622 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.82 62.65 65.4 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.46 -1.245 . . . . 25.0 108.983 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.9 -2.38 11.4 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 114.792 1.035 . . . . 50.0 114.792 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -107.97 -3.9 18.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.675 -0.861 . . . . 50.0 108.675 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 55.26 40.84 31.71 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.085 0.954 . . . . 50.0 112.874 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.02 -6.57 22.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.655 -1.157 . . . . 50.0 109.319 177.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.39 19.27 66.87 Favored Glycine 0 CA--C 1.512 -0.129 0 C-N-CA 120.9 -0.666 . . . . 50.0 113.209 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.92 154.27 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.936 -1.505 . . . . 50.0 106.936 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . 0.406 HG11 ' CZ ' ' A' ' 812' ' ' PHE . 57.7 t -92.74 126.69 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 123.184 0.594 . . . . 50.0 111.569 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.06 167.77 9.67 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-O 121.722 0.772 . . . . 25.0 111.99 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.525 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -62.57 -29.61 70.71 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 118.888 2.922 . . . . 50.0 118.888 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -79.36 -15.27 58.16 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.746 -1.205 . . . . 50.0 107.746 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 799' ' ' VAL . . . -85.79 -62.35 1.55 Allowed 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.139 -175.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.0 m-85 -33.65 -35.71 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.946 1.832 . . . . 50.0 115.946 173.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 23.5 mm -58.93 -33.39 49.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.301 0.64 . . . . 50.0 111.238 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.69 -39.66 62.18 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.861 -1.063 . . . . 50.0 109.172 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.25 -46.82 21.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.704 0.684 . . . . 50.0 110.266 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.41 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.67 -31.51 47.95 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 115.181 1.549 . . . . 50.0 115.181 -176.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.8 -19.82 60.04 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.136 -1.603 . . . . 50.0 111.426 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -73.98 -19.32 60.7 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.479 -0.782 . . . . 50.0 110.306 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.512 ' HB3' HE22 ' A' ' 856' ' ' GLN . 10.6 tp10 -49.68 -32.24 12.84 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.283 0.989 . . . . 50.0 111.925 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.8 p -63.75 -2.64 1.86 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.654 1.354 . . . . 25.0 114.654 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -86.97 -145.63 0.12 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.457 ' HB2' HH22 ' A' ' 863' ' ' ARG . 21.7 t0 -128.81 136.39 50.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 50.0 109.868 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.36 147.79 33.89 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.18 -38.69 88.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.586 1.184 . . . . 25.0 109.966 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.1 p -75.16 -12.84 60.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.537 -1.21 . . . . 25.0 112.475 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.94 -23.25 65.14 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.81 -36.08 73.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.93 0.871 . . . . 50.0 110.076 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.58 -39.85 80.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 50.0 112.152 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.64 -34.96 30.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 44.6 mtt -69.94 -10.85 60.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.112 0.782 . . . . 50.0 113.112 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.31 58.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.86 -0.525 . . . . 25.0 110.875 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.1 m -59.29 -26.45 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.583 0.586 . . . . 50.0 112.583 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.2 -23.19 67.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.98 -0.45 . . . . 50.0 111.645 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.77 -36.23 75.59 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.473 -0.767 . . . . 50.0 109.173 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.61 -40.94 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.036 -1.468 . . . . 50.0 107.036 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -45.48 94.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 50.0 110.955 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.93 87.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.86 0.838 . . . . 25.0 110.546 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 89.72 -107.07 3.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 105.347 -3.101 . . . . 25.0 105.347 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -118.63 2.99 11.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.582 1.191 . . . . 25.0 113.73 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -76.66 148.64 36.74 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.679 -1.6 . . . . 50.0 106.679 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.03 -7.08 53.84 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.78 1.4 . . . . 50.0 114.78 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -140.0 163.07 33.67 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.328 -1.36 . . . . 50.0 107.328 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.6 tp -115.79 149.0 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 104.953 -2.24 . . . . 50.0 104.953 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.5 p -86.69 152.51 22.49 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.5 mtt -53.75 -35.6 61.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.489 0.661 . . . . 50.0 109.567 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.17 -29.15 63.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.672 0.99 . . . . 50.0 113.672 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.402 ' HB2' HG13 ' A' ' 843' ' ' ILE . 12.7 mt-10 -68.51 -39.18 81.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.745 -0.835 . . . . 50.0 108.745 176.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 850' ' ' ARG . 82.8 mt -65.88 -38.82 89.79 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 175.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.45 27.95 0.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.214 0.606 . . . . 50.0 110.622 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 848' ' ' LEU . 26.4 tpt180 -127.83 -35.13 2.11 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.458 -1.312 . . . . 50.0 107.458 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.43 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.2 pt-20 -96.42 -23.75 16.45 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.704 -1.221 . . . . 50.0 107.704 176.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.3 mt -116.63 84.65 15.5 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 122.627 0.371 . . . . 50.0 110.831 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.76 -24.21 74.59 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 C-N-CA 114.788 -3.008 . . . . 25.0 116.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.85 -171.17 1.11 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 116.167 -2.089 . . . . 50.0 116.317 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . 0.428 ' CG ' ' H3 ' ' A' ' 740' ' ' GLY . 51.3 m-20 -58.9 -15.57 13.39 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 114.727 -1.124 . . . . 50.0 112.578 176.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.512 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.1 mm-40 -52.04 -34.96 45.67 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.267 -0.642 . . . . 50.0 109.267 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.1 -54.69 41.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.911 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -69.23 -33.91 74.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.534 0.568 . . . . 50.0 112.534 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -52.54 64.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.419 -0.956 . . . . 50.0 108.419 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -64.56 -42.02 95.94 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.234 -0.439 . . . . 50.0 110.399 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.3 mt -58.32 -42.23 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.01 0.524 . . . . 50.0 110.476 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.26 -31.5 72.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . 0.457 HH22 ' HB2' ' A' ' 822' ' ' ASP . 0.0 OUTLIER -95.23 -10.09 31.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.709 0.766 . . . . 50.0 113.006 -178.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.45 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.7 ttm -76.95 159.5 29.92 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.234 0.827 . . . . 50.0 113.234 -176.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -69.87 131.0 89.54 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.089 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.78 88.29 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 124.011 3.141 . . . . 50.0 115.507 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.04 104.05 16.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.419 -0.956 . . . . 50.0 108.419 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 63.5 p -136.34 157.97 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.733 -0.604 . . . . 25.0 110.811 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.22 172.34 26.22 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.892 -1.283 . . . . 50.0 109.892 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.37 -20.74 18.14 Favored 'Trans proline' 0 C--O 1.22 -0.412 0 C-N-CA 122.379 2.052 . . . . 50.0 113.468 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -95.67 5.26 51.87 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 107.363 -1.347 . . . . 50.0 107.363 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.4 t -113.03 -174.67 2.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.269 -1.332 . . . . 50.0 107.998 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.45 156.11 42.73 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 106.152 -1.795 . . . . 50.0 106.152 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.31 48.12 2.24 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.025 1.816 . . . . 50.0 113.065 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 171.75 47.93 0.04 OUTLIER Glycine 0 C--O 1.219 -0.829 0 CA-C-O 119.33 -0.705 . . . . 50.0 112.265 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 134.88 54.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.05 146.11 35.11 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.231 0.456 . . . . 50.0 112.231 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -82.24 111.81 18.66 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.146 -0.621 . . . . 50.0 110.459 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -68.35 -35.68 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.29 -0.868 . . . . 50.0 112.299 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -94.06 -24.96 17.39 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 113.84 1.052 . . . . 50.0 113.84 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.4 t -98.25 15.72 23.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.395 -0.594 . . . . 50.0 109.395 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.1 p90 -57.13 172.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.98 -1.009 . . . . 50.0 112.894 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 70.3 m -124.32 132.51 53.56 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 112.777 0.658 . . . . 50.0 112.777 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 18.0 p -71.34 -28.99 64.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.72 126.82 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.79 146.92 54.18 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.239 -1.346 . . . . 50.0 112.479 -176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -38.7 -40.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.572 -1.649 . . . . 50.0 114.958 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 83.14 -172.1 50.98 Favored Glycine 0 C--O 1.224 -0.491 0 C-N-CA 121.118 -0.563 . . . . 25.0 112.223 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -136.12 99.5 4.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.074 -1.454 . . . . 25.0 107.074 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 53.5 m -156.64 44.18 0.39 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -141.72 178.46 7.47 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.121 -1.437 . . . . 25.0 107.121 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.253 1.251 0 CA-C-O 117.514 -1.231 . . . . 25.0 112.497 -175.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 CA-C-O 118.917 -0.935 . . . . 25.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 50.1 m -155.09 113.03 3.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.143 0.971 . . . . 25.0 112.68 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.3 m 58.13 -171.65 0.1 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 118.966 2.951 . . . . 25.0 118.966 171.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.14 153.78 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 113.715 -1.584 . . . . 50.0 113.61 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.8 t -96.35 158.53 15.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -27.89 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 50.0 109.861 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -81.15 -38.33 27.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.437 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 42.1 tp60 -60.96 -40.8 94.76 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.953 -0.567 . . . . 50.0 110.861 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.8 ptp -73.81 -21.0 60.29 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.966 -0.753 . . . . 50.0 108.966 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -44.24 25.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.948 -0.301 . . . . 50.0 110.266 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.13 -36.91 58.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 50.0 109.291 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -70.87 -24.43 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.696 -0.628 . . . . 50.0 112.59 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.28 -21.35 66.19 Favored 'General case' 0 C--O 1.198 -1.635 0 O-C-N 121.098 -1.001 . . . . 50.0 108.73 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.71 -22.5 64.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.069 0.849 . . . . 25.0 110.185 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -15.2 56.58 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.111 -0.368 . . . . 50.0 110.542 177.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -23.09 49.69 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.12 0.785 . . . . 50.0 113.12 174.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -115.6 -14.71 11.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.643 0.259 . . . . 50.0 111.588 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.85 -51.66 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.9 3.05 33.28 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 120.737 0.303 . . . . 50.0 110.639 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -57.07 104.51 0.16 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.299 1.047 . . . . 50.0 112.118 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.519 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 41.9 ttt180 -50.15 -35.86 27.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 112.953 -1.931 . . . . 50.0 112.976 -176.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -123.5 1.98 8.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.956 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.0 t60 61.47 29.65 18.49 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 50.5 p -70.33 -9.78 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.526 0.936 . . . . 50.0 113.526 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.04 19.39 59.31 Favored Glycine 0 CA--C 1.511 -0.2 0 N-CA-C 107.611 -2.195 . . . . 50.0 107.611 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -155.7 136.25 13.31 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.942 -1.129 . . . . 25.0 109.584 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.27 126.15 45.04 Favored 'General case' 0 C--O 1.201 -1.468 0 N-CA-C 107.592 -1.262 . . . . 50.0 107.592 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . 0.441 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -81.26 -167.43 38.24 Favored Glycine 0 C--O 1.199 -2.062 0 N-CA-C 109.594 -1.402 . . . . 50.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -62.87 -57.39 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.554 0 CA-C-N 120.633 2.217 . . . . 50.0 113.943 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.73 -17.35 64.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.562 0.696 . . . . 50.0 110.875 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.519 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.0 mt-10 -88.62 -45.83 9.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.701 -0.681 . . . . 50.0 110.087 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.45 -40.64 87.48 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.575 0.75 . . . . 50.0 110.53 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -22.77 66.33 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.849 -0.614 . . . . 50.0 110.251 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.49 -36.08 20.78 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.84 -48.33 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.27 -18.91 41.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 116.392 1.997 . . . . 50.0 116.392 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.25 -39.06 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.662 -0.866 . . . . 50.0 108.662 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 43.3 m -76.05 -8.54 57.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.88 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.01 -19.82 15.67 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 116.398 -0.365 . . . . 50.0 110.517 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.85 3.7 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 118.862 -1.637 . . . . 25.0 110.972 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.97 164.03 4.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.436 2.013 . . . . 50.0 116.436 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.406 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 44.1 p-10 -96.56 17.67 15.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.861 0.838 . . . . 25.0 110.541 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.89 -177.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.767 -1.106 . . . . 50.0 109.65 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.33 20.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 104.863 -3.295 . . . . 50.0 104.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -91.91 22.45 4.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.27 1.035 . . . . 25.0 108.207 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.55 152.26 87.44 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 107.906 -1.146 . . . . 50.0 107.906 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.27 -25.41 64.59 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 117.948 -0.901 . . . . 50.0 113.854 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.82 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.13 -0.693 . . . . 50.0 109.13 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.56 84.61 Favored Glycine 0 C--O 1.206 -1.638 0 C-N-CA 120.69 -0.767 . . . . 50.0 114.766 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.99 -27.71 68.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.084 1.442 . . . . 50.0 111.211 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.36 -41.22 48.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.18 -36.01 76.89 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.429 -0.805 . . . . 50.0 109.967 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.49 -44.89 92.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.228 -1.027 . . . . 50.0 108.228 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.87 74.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.842 -0.343 . . . . 25.0 111.274 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -62.13 -39.23 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.18 -42.58 58.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.125 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -24.91 40.78 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.16 0.505 . . . . 50.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 29.4 t -81.58 -18.47 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 50.0 112.162 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -102.02 -23.4 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.736 1.013 . . . . 50.0 113.736 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.2 23.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 50.0 112.141 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.31 64.14 26.5 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 122.067 0.937 . . . . 25.0 108.985 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 -4.29 8.13 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.507 1.472 . . . . 50.0 115.275 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.73 -0.94 23.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.194 -1.41 . . . . 50.0 107.194 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 54.22 42.51 31.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.81 1.244 . . . . 50.0 113.938 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.16 -6.66 19.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.64 -1.618 . . . . 50.0 110.819 177.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.93 66.41 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.843 -0.694 . . . . 50.0 113.726 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.39 153.55 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.842 -1.17 . . . . 50.0 107.842 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 45.1 t -89.87 125.68 42.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 N-CA-C 110.385 -0.228 . . . . 50.0 110.385 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 4.6 p -103.77 168.65 9.0 Favored 'General case' 0 CA--C 1.494 -1.189 0 O-C-N 124.16 0.912 . . . . 25.0 111.791 -177.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 7.1 p90 -50.62 -47.31 58.36 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 115.86 1.8 . . . . 75.0 115.86 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -16.42 63.14 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 115.249 -0.887 . . . . 50.0 110.736 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.28 -37.95 16.72 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 114.993 -1.003 . . . . 25.0 110.616 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 59.1 m-85 -57.54 -33.58 68.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.747 -0.66 . . . . 50.0 111.949 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 8.8 mm -60.41 -32.98 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.428 -0.806 . . . . 50.0 111.766 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.93 -49.53 29.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.059 -0.973 . . . . 50.0 110.263 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.406 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.1 t80 -73.78 -42.07 61.54 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-O 121.705 0.764 . . . . 50.0 110.66 177.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -27.85 53.35 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 23.9 t -85.87 -19.67 30.23 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.544 -1.347 . . . . 50.0 111.318 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.5 -22.25 64.54 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.114 0.483 . . . . 50.0 109.986 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.563 ' HB3' HE21 ' A' ' 856' ' ' GLN . 17.4 tp10 -54.73 -15.84 2.13 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.884 1.674 . . . . 50.0 114.264 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 34.5 p -70.39 1.61 4.8 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.739 -0.601 . . . . 25.0 112.483 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -122.67 154.23 38.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -79.8 163.85 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.067 0.765 . . . . 50.0 113.067 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.15 163.85 31.86 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.38 -37.92 89.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.201 1.0 . . . . 25.0 110.024 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 17.1 p -72.48 -14.92 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.269 -0.878 . . . . 25.0 111.879 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.23 -26.85 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.059 0.225 . . . . 25.0 111.373 -176.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.02 -28.86 66.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 50.0 111.437 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -84.41 -42.21 15.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.775 -0.578 . . . . 50.0 111.97 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.0 p -76.02 -29.7 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.561 -0.456 . . . . 50.0 111.283 -174.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.68 -13.53 54.58 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.922 -0.486 . . . . 50.0 111.205 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.02 -26.09 65.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.1 p -62.96 -26.32 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 50.0 111.794 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.67 -24.69 67.76 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 122.092 -0.38 . . . . 75.0 110.658 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -71.92 -36.07 69.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.402 -0.811 . . . . 50.0 109.223 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.82 -40.64 76.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.273 -1.38 . . . . 50.0 107.273 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -40.06 94.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 50.0 110.026 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.43 66.0 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.431 1.11 . . . . 25.0 111.597 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.39 -83.05 1.12 Allowed Glycine 0 C--O 1.185 -2.937 0 CA-C-O 122.369 0.983 . . . . 25.0 113.624 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -114.6 -28.46 7.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.681 -1.259 . . . . 25.0 112.663 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . 0.445 ' HZ1' ' CD ' ' A' ' 847' ' ' GLU . 7.0 pttt -84.7 165.73 17.63 Favored 'General case' 0 N--CA 1.422 -1.842 0 N-CA-C 113.89 1.07 . . . . 75.0 113.89 -169.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -91.73 1.86 56.88 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 124.355 1.062 . . . . 50.0 112.94 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -136.42 163.38 30.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 105.733 -1.951 . . . . 50.0 105.733 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -120.74 150.86 23.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 105.242 -2.132 . . . . 50.0 105.242 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.3 p -92.6 153.48 18.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.8 mtt -55.55 -32.74 63.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 120.998 0.428 . . . . 50.0 110.152 173.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.7 -37.03 84.85 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 123.338 0.655 . . . . 50.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.445 ' CD ' ' HZ1' ' A' ' 840' ' ' LYS . 4.3 mt-10 -68.81 -37.43 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.672 0.273 . . . . 50.0 111.355 -178.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.48 -36.6 73.95 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.27 -1.011 . . . . 50.0 108.27 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -81.42 30.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.97 -0.559 . . . . 50.0 110.551 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -132.62 -40.37 0.97 Allowed 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.403 -1.332 . . . . 50.0 107.403 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.443 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 20.9 pt-20 -91.94 -20.74 21.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.884 -1.053 . . . . 75.0 109.405 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.443 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 7.6 mt -122.26 87.58 48.24 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 122.791 0.436 . . . . 50.0 111.2 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.54 -25.68 79.77 Favored 'Trans proline' 0 CA--C 1.578 2.685 0 C-N-CA 114.345 -3.303 . . . . 25.0 118.258 171.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 57.8 Cg_endo -79.77 -169.3 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 118.226 2.356 . . . . 50.0 118.226 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.5 -21.63 6.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.596 -1.638 . . . . 50.0 112.459 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.563 HE21 ' HB3' ' A' ' 819' ' ' GLU . 41.6 mt-30 -56.71 -36.61 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.246 -0.284 . . . . 50.0 110.72 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.133 0.492 . . . . 25.0 111.308 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.41 -31.76 60.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.605 0.595 . . . . 50.0 112.605 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -50.18 71.33 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.184 -1.043 . . . . 50.0 108.184 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 85.8 m -63.07 -45.07 93.88 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.35 -0.386 . . . . 50.0 110.114 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.2 mt -59.0 -41.65 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.957 0.408 . . . . 50.0 110.916 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.44 91.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.748 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -12.24 46.03 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.28 0.474 . . . . 50.0 112.28 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.422 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -75.14 153.13 38.39 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.934 -0.479 . . . . 50.0 110.946 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -69.33 134.83 88.93 Favored Pre-proline 0 C--O 1.222 -0.392 0 C-N-CA 120.512 -0.475 . . . . 25.0 110.395 -175.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.12 92.63 1.05 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.811 2.341 . . . . 50.0 114.206 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -92.75 98.17 11.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.914 0.864 . . . . 50.0 108.742 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.2 p -132.79 162.8 30.54 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -177.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 150.38 177.29 24.19 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 109.708 -1.357 . . . . 50.0 109.708 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.36 -21.45 17.4 Favored 'Trans proline' 0 C--O 1.219 -0.464 0 C-N-CA 122.147 1.898 . . . . 50.0 113.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -96.22 4.36 52.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 107.357 -1.349 . . . . 50.0 107.357 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 6.3 t -116.59 -173.22 2.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.282 -1.326 . . . . 50.0 108.815 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -120.1 156.04 55.09 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 106.013 -1.847 . . . . 50.0 106.013 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.59 26.43 0.35 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 121.718 1.612 . . . . 50.0 114.606 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -160.51 44.3 0.42 Allowed Glycine 0 C--O 1.219 -0.791 0 N-CA-C 111.001 -0.839 . . . . 50.0 111.001 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 140.25 47.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 5.8 mt -141.94 152.06 43.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 50.0 111.622 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -89.35 108.32 19.57 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 50.0 109.947 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -65.05 -39.27 93.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.405 -1.271 . . . . 50.0 110.696 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -89.04 -30.47 18.68 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.773 1.397 . . . . 50.0 114.773 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.4 t -97.56 19.03 14.12 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.923 -0.485 . . . . 50.0 111.088 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.422 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 5.9 p90 -44.64 155.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.067 1.877 . . . . 50.0 116.067 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 36.8 t -82.45 113.14 20.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.744 0.783 . . . . 50.0 112.641 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.1 p -75.56 -9.83 58.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.208 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -96.74 15.72 21.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.595 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.2 mp 65.41 -175.4 0.18 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.117 0.885 . . . . 50.0 110.002 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -38.3 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.723 1.009 . . . . 50.0 113.723 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 73.93 -147.51 38.27 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.053 -1.219 . . . . 25.0 110.053 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -117.5 151.71 36.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 66.3 p -76.52 142.04 41.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -83.78 110.57 18.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 174.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.898 -1.049 . . . . 25.0 112.192 -175.028 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 N-CA-C 112.36 -0.296 . . . . 25.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.9 m -141.74 52.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.7 p 62.17 -159.65 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.895 2.183 . . . . 25.0 116.895 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.01 150.64 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 113.388 0.884 . . . . 50.0 113.388 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.1 t -97.51 158.68 15.36 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.863 0.465 . . . . 25.0 110.689 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.51 69.04 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.014 -0.539 . . . . 50.0 109.923 176.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.11 -37.68 33.14 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.286 -0.259 . . . . 50.0 110.562 177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.185 0.517 . . . . 50.0 110.559 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.6 ptp -72.32 -21.06 61.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.108 -0.701 . . . . 50.0 109.108 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -39.2 23.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.503 -0.317 . . . . 50.0 110.91 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.4 -38.98 59.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 35.2 t80 -68.98 -28.69 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.673 0.99 . . . . 50.0 113.673 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -19.67 60.7 Favored 'General case' 0 C--O 1.197 -1.688 0 O-C-N 121.231 -0.918 . . . . 50.0 109.797 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.54 -22.27 65.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.073 0.852 . . . . 25.0 110.325 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.6 t -63.93 -14.82 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.848 -0.533 . . . . 50.0 110.485 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -22.9 43.97 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.921 0.712 . . . . 50.0 112.921 173.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.96 -17.36 12.9 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 111.918 0.34 . . . . 50.0 111.918 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -62.85 -53.65 50.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.277 0.843 . . . . 50.0 113.277 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.05 3.02 32.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.156 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -56.67 104.42 0.15 Allowed 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 122.711 1.244 . . . . 50.0 112.327 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.469 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 41.6 ttt180 -55.43 -30.17 59.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.775 -2.011 . . . . 50.0 113.389 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.52 3.6 7.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 57.38 38.43 28.38 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.981 0.896 . . . . 25.0 112.947 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.4 p -78.71 -8.39 58.66 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.84 -0.537 . . . . 50.0 112.314 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.64 63.02 Favored Glycine 0 C--O 1.23 -0.132 0 N-CA-C 107.928 -2.069 . . . . 50.0 107.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.58 136.32 12.49 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 114.102 -1.049 . . . . 25.0 109.996 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.26 125.03 43.17 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . 0.449 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -80.91 -169.29 41.09 Favored Glycine 0 C--O 1.191 -2.593 0 N-CA-C 109.234 -1.547 . . . . 50.0 109.234 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -59.85 -59.81 0.36 Allowed 'Trans proline' 0 C--N 1.329 -0.467 0 CA-C-N 121.504 2.652 . . . . 50.0 114.016 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.45 -16.82 64.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 50.0 110.955 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.469 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 9.8 mt-10 -89.62 -45.59 9.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 120.109 -0.636 . . . . 50.0 110.018 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -59.14 -39.43 82.37 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 124.24 1.016 . . . . 50.0 110.961 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -23.15 65.83 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.936 -0.575 . . . . 50.0 110.438 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.58 -34.13 21.53 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.1 -46.8 89.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.724 0.773 . . . . 50.0 109.372 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.37 -18.83 60.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 116.451 2.019 . . . . 50.0 116.451 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.55 -38.28 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.527 -0.916 . . . . 50.0 108.527 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -73.74 -7.8 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.649 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.2 -5.58 15.88 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 123.371 0.42 . . . . 50.0 110.342 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 75.25 44.87 21.32 Favored Glycine 0 C--O 1.221 -0.658 0 C-N-CA 118.294 -1.907 . . . . 25.0 111.515 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.07 162.72 0.26 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 120.866 3.654 . . . . 50.0 120.866 -178.306 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.509 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.0 t0 -85.0 9.98 13.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.008 1.723 . . . . 25.0 110.643 -175.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.0 169.84 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.247 -0.888 . . . . 50.0 108.663 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.4 -168.12 17.37 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 107.982 -2.047 . . . . 50.0 107.982 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.33 48.45 1.4 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -109.51 153.79 42.66 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.886 -1.052 . . . . 50.0 109.142 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.21 -25.52 57.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 116.859 -1.627 . . . . 50.0 112.926 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.31 -43.25 19.38 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.801 -0.36 . . . . 50.0 110.519 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.45 -31.51 68.35 Favored Glycine 0 C--O 1.213 -1.161 0 C-N-CA 120.141 -1.028 . . . . 50.0 114.24 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.4 -27.47 68.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.118 0.959 . . . . 50.0 109.778 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.84 -40.45 47.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -70.85 -36.0 72.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.294 -0.866 . . . . 50.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -49.25 72.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.89 -1.152 . . . . 50.0 107.89 174.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.82 74.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.109 0.481 . . . . 25.0 111.637 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.77 -41.81 98.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.205 -0.665 . . . . 50.0 109.205 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.4 mt -71.77 -41.66 70.29 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -27.53 31.43 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.168 0.508 . . . . 50.0 110.937 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.59 -32.33 53.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.883 -0.599 . . . . 50.0 111.907 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.8 pt -85.57 -23.48 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.691 -0.631 . . . . 50.0 111.946 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 33.5 m -92.42 24.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.974 0.893 . . . . 50.0 110.56 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -124.62 62.86 34.87 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 121.909 0.861 . . . . 25.0 110.373 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.0 -0.22 6.79 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 N-CA-C 115.068 1.142 . . . . 50.0 115.068 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -2.76 14.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.594 -0.891 . . . . 50.0 108.594 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 37.9 25.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.11 0.964 . . . . 50.0 112.789 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.33 -7.23 18.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.687 -0.688 . . . . 50.0 111.572 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.19 62.31 Favored Glycine 0 C--N 1.323 -0.147 0 C-N-CA 121.204 -0.522 . . . . 50.0 113.407 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.83 152.19 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.469 -0.567 . . . . 50.0 109.469 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.89 128.43 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 50.0 109.436 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.526 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.1 OUTLIER -109.6 166.93 10.52 Favored 'General case' 0 C--O 1.206 -1.208 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 -177.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -48.49 -42.42 32.76 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 114.881 1.438 . . . . 50.0 114.881 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.526 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.4 OUTLIER -76.38 -15.46 59.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.441 0.639 . . . . 50.0 110.55 -178.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -90.19 -37.02 14.44 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.26 -0.882 . . . . 25.0 111.457 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.447 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 68.5 m-85 -58.17 -31.81 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 50.0 111.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.3 mm -61.53 -31.97 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.52 0.676 . . . . 50.0 111.363 -175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -50.95 -45.22 60.63 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.105 -0.952 . . . . 50.0 109.578 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.509 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.2 t80 -74.01 -43.18 58.88 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 121.545 0.688 . . . . 50.0 110.743 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.61 58.65 Favored 'General case' 0 C--O 1.207 -1.138 0 N-CA-C 114.221 1.193 . . . . 50.0 114.221 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 28.2 t -85.86 -19.85 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 120.153 -1.592 . . . . 50.0 110.911 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.08 -27.82 61.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.858 -0.794 . . . . 50.0 108.858 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.513 ' HB3' HE22 ' A' ' 856' ' ' GLN . 4.8 tt0 -57.4 -16.39 9.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.611 1.564 . . . . 50.0 113.789 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 55.2 p -71.07 -4.31 24.39 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.76 -0.587 . . . . 25.0 111.88 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.54 146.25 24.23 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.32 139.13 54.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.541 -0.299 . . . . 50.0 110.202 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.86 152.75 40.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.57 -47.16 79.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.416 1.103 . . . . 25.0 110.499 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -15.78 63.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.532 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.16 65.77 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 111.836 0.309 . . . . 25.0 111.836 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -57.02 -36.34 70.33 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.105 0.955 . . . . 50.0 109.947 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.06 -38.88 86.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.323 -0.853 . . . . 50.0 112.222 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.63 -36.07 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.831 -0.803 . . . . 50.0 108.831 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 92.6 mtp -68.03 -14.76 63.22 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.434 -0.348 . . . . 50.0 111.513 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.88 -19.4 1.73 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 112.463 0.542 . . . . 25.0 112.463 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 81.3 p -53.34 -28.24 27.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.152 0.581 . . . . 50.0 112.244 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -24.1 64.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.632 0.651 . . . . 50.0 112.312 178.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -77.78 -36.02 50.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 121.118 -0.989 . . . . 50.0 108.835 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.08 -43.32 85.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.98 . . . . 50.0 108.355 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.76 -46.19 89.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.191 0.441 . . . . 50.0 112.191 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.8 94.25 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.0 -96.84 1.6 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 108.388 -1.885 . . . . 25.0 108.388 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.17 1.71 11.37 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -81.21 155.07 26.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.791 -1.188 . . . . 50.0 107.791 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -87.72 2.36 51.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.977 1.473 . . . . 50.0 114.977 -175.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -148.77 161.77 41.12 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 105.773 -1.936 . . . . 50.0 105.773 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.4 tp -114.15 153.62 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 68.9 p -92.82 151.36 20.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.4 mtt -57.13 -32.61 66.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.358 0.599 . . . . 50.0 109.472 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.85 -33.38 75.49 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.575 -0.739 . . . . 50.0 112.453 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.09 -40.46 78.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.881 -0.414 . . . . 50.0 109.881 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.25 -40.24 90.06 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -76.12 13.8 0.83 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.014 -0.539 . . . . 50.0 112.401 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -111.04 -36.47 5.63 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.473 -0.936 . . . . 50.0 108.473 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.97 -29.96 21.64 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.703 -0.851 . . . . 75.0 108.703 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.23 93.12 48.81 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 50.0 110.811 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.88 -21.67 63.96 Favored 'Trans proline' 0 CA--C 1.579 2.757 0 C-N-CA 114.441 -3.239 . . . . 25.0 118.144 169.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -84.61 -165.45 0.3 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 N-CA-C 117.365 2.025 . . . . 50.0 117.365 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.56 -26.45 5.28 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.8 1.64 . . . . 50.0 112.446 174.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.513 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.0 mm-40 -54.96 -36.2 65.07 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.854 -0.612 . . . . 50.0 110.153 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.01 63.77 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.713 -0.617 . . . . 25.0 112.48 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.29 -31.41 68.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.05 0.452 . . . . 50.0 110.645 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -54.78 39.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 107.99 -1.115 . . . . 50.0 107.99 172.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 95.8 m -61.78 -41.5 97.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.671 -0.241 . . . . 50.0 111.085 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 40.7 mt -60.07 -41.17 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.017 0.437 . . . . 50.0 110.421 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.02 -32.42 73.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -92.11 -9.88 40.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.975 0.417 . . . . 50.0 111.285 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.48 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.8 ttm -79.16 154.1 29.56 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.319 -0.863 . . . . 50.0 112.86 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -73.69 138.13 77.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.831 -175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 94.61 1.02 Allowed 'Trans proline' 0 CA--C 1.529 0.23 1 C-N-CA 126.039 4.493 . . . . 50.0 115.488 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.61 113.73 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.501 0.667 . . . . 50.0 112.591 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.8 p -136.58 163.03 31.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.1 175.48 37.83 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.278 -1.129 . . . . 50.0 110.278 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.0 -22.76 16.85 Favored 'Trans proline' 0 C--O 1.221 -0.358 0 C-N-CA 122.547 2.165 . . . . 50.0 114.644 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.03 11.3 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 m -107.31 167.4 9.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.355 -1.293 . . . . 50.0 109.115 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.67 156.87 34.69 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.78 0.86 6.44 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 O-C-N 122.357 0.662 . . . . 50.0 113.615 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -130.36 54.63 0.78 Allowed Glycine 0 C--O 1.22 -0.764 0 N-CA-C 111.385 -0.686 . . . . 50.0 111.385 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -113.04 139.67 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -142.03 152.21 43.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.727 -0.215 . . . . 50.0 111.46 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -88.75 106.09 18.13 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.416 0.627 . . . . 50.0 110.126 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -69.82 -31.43 69.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 114.891 -1.05 . . . . 50.0 112.454 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -94.0 -18.44 21.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.794 1.035 . . . . 50.0 113.794 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 16.0 t -110.9 19.14 18.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.48 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 9.1 p90 -55.55 163.9 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.033 -0.985 . . . . 50.0 113.385 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 48.1 t -93.31 131.16 38.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.72 -0.673 . . . . 50.0 110.622 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.3 p -87.83 17.6 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.819 0.818 . . . . 25.0 108.8 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -134.92 150.49 50.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.73 143.81 55.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.841 -1.072 . . . . 50.0 111.745 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -36.34 -46.52 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.99 1.848 . . . . 50.0 115.99 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 76.13 -161.73 52.16 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 111.002 -0.839 . . . . 25.0 111.002 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -151.95 149.77 29.28 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.113 -2.551 . . . . 25.0 104.113 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.0 t -150.85 166.04 31.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 177.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 61.4 tp . . . . . 0 C--O 1.253 1.289 0 CA-C-O 116.261 -1.828 . . . . 25.0 106.813 178.852 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.38 -0.688 . . . . 25.0 111.38 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.0 m -98.81 142.68 30.04 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 103.116 -2.92 . . . . 25.0 103.116 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 m -63.43 -123.88 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 117.467 2.395 . . . . 25.0 117.467 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 145.75 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 O-C-N 120.902 -1.123 . . . . 50.0 111.585 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.3 p -97.88 164.43 12.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.146 0.498 . . . . 25.0 110.231 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -31.69 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 50.0 111.227 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.74 -35.55 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.285 -0.566 . . . . 50.0 110.627 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -60.08 -42.68 95.12 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 121.127 0.489 . . . . 50.0 110.302 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 3.9 ptp -73.45 -21.04 60.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.19 -0.671 . . . . 50.0 109.19 -177.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.93 -39.91 20.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.315 -0.402 . . . . 50.0 110.24 -175.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -38.03 54.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.405 -0.961 . . . . 50.0 108.405 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.451 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 53.2 t80 -69.83 -25.5 63.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.553 0.946 . . . . 50.0 113.553 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.46 64.76 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 120.974 -1.079 . . . . 50.0 109.062 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.57 -19.99 62.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.256 0.48 . . . . 25.0 109.836 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 4.3 t -63.1 -15.68 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.865 0.364 . . . . 50.0 110.566 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -23.36 31.0 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.014 1.116 . . . . 50.0 114.014 173.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -112.93 -15.97 12.78 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 120.713 0.292 . . . . 50.0 111.409 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -62.53 -51.31 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.241 0.83 . . . . 50.0 113.241 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.01 1.28 30.91 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.24 -0.436 . . . . 50.0 111.856 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -55.32 103.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.715 1.245 . . . . 50.0 113.225 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.455 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 77.1 ttt180 -55.87 -30.88 62.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.013 -1.903 . . . . 50.0 113.504 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -121.74 -0.64 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.54 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 58.58 36.23 25.02 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.2 p -74.26 -9.31 58.48 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.7 0.63 . . . . 50.0 112.7 176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.16 15.36 60.88 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.607 -1.797 . . . . 50.0 108.607 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.91 136.29 12.13 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.55 141.71 28.3 Favored 'General case' 0 C--O 1.206 -1.237 0 N-CA-C 104.77 -2.307 . . . . 50.0 104.77 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . 0.47 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -91.77 -167.42 40.39 Favored Glycine 0 C--O 1.207 -1.564 0 N-CA-C 107.127 -2.389 . . . . 50.0 107.127 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -64.03 -62.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.6 0 CA-C-N 120.138 1.969 . . . . 50.0 113.691 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -64.26 -16.99 63.17 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.675 0.75 . . . . 50.0 110.579 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 5.3 mt-10 -87.6 -47.01 9.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.876 -0.602 . . . . 50.0 111.089 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . 0.601 ' HD2' ' CE1' ' A' ' 812' ' ' PHE . 1.3 t80 -64.87 -31.48 72.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.914 -1.116 . . . . 75.0 110.399 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -21.91 62.75 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.079 -0.712 . . . . 50.0 109.079 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.74 -34.85 22.78 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.59 -49.56 76.12 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . 0.413 HD11 ' CE1' ' A' ' 771' ' ' PHE . 10.0 mt -60.81 -18.21 54.13 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 115.752 1.76 . . . . 50.0 115.752 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.59 -39.6 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.5 m -76.79 -8.29 57.03 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.379 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.07 -15.72 16.65 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.806 -0.634 . . . . 50.0 110.252 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.93 51.91 2.02 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 118.947 -1.597 . . . . 25.0 111.375 177.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.59 158.07 30.78 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.28 2.696 . . . . 50.0 118.28 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . 0.443 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 30.2 t0 -84.46 10.85 9.75 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.985 1.714 . . . . 25.0 111.967 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.3 171.16 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.21 -0.904 . . . . 50.0 108.625 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.06 -165.39 12.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.651 -0.979 . . . . 50.0 110.651 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -85.61 48.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.351 0.596 . . . . 25.0 110.526 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.33 152.41 54.89 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 107.287 -1.375 . . . . 50.0 107.287 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.68 -21.96 44.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 117.943 -0.905 . . . . 50.0 111.357 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.36 -46.66 59.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.284 -1.006 . . . . 50.0 108.284 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.69 -31.22 73.07 Favored Glycine 0 C--O 1.205 -1.657 0 C-N-CA 120.773 -0.727 . . . . 50.0 112.408 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -63.66 -30.25 71.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 118.138 0.969 . . . . 50.0 110.571 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -73.76 -40.6 63.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -71.46 -36.04 71.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.089 -0.959 . . . . 50.0 109.779 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.95 98.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.129 -1.063 . . . . 50.0 108.129 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.01 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.2 -0.296 . . . . 25.0 110.2 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -65.99 -43.06 88.89 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.606 -0.438 . . . . 50.0 110.449 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.68 -44.33 89.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.112 -1.44 . . . . 50.0 107.112 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.53 43.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.51 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 35.6 t -84.17 -18.42 36.76 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 113.721 1.008 . . . . 50.0 113.721 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 24.1 pt -95.26 -22.34 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.822 -0.549 . . . . 50.0 111.062 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 36.0 m -93.94 19.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 -175.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -115.7 62.8 2.0 Allowed Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.619 -0.675 . . . . 25.0 109.941 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.65 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.355 0.902 0 CA-C-O 121.642 0.601 . . . . 75.0 112.581 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -98.97 -2.26 37.86 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 106.977 -1.49 . . . . 50.0 106.977 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 53.3 37.42 25.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.11 1.364 . . . . 50.0 114.169 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -10.85 23.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.983 -1.462 . . . . 50.0 110.591 176.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 73.07 24.01 76.64 Favored Glycine 0 N--CA 1.462 0.403 0 CA-C-O 121.754 0.641 . . . . 50.0 113.708 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.28 163.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 1 N-CA-C 100.146 -4.02 . . . . 50.0 100.146 177.255 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' A' ' 812' ' ' PHE . 97.7 t -97.97 116.68 41.25 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.31 1 CA-C-O 81.093 -18.575 . . . . 50.0 116.808 -167.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.506 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.7 OUTLIER -117.59 178.78 4.27 Favored 'General case' 0 C--N 1.261 -3.281 2 O-C-N 77.812 -28.055 . . . . 25.0 102.146 -160.232 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -41.37 33.2 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 115.179 1.548 . . . . 50.0 115.179 176.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.506 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.3 OUTLIER -76.34 -15.5 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.283 0.563 . . . . 50.0 110.24 -177.572 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -91.56 -39.65 11.79 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.098 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.601 ' CE1' ' HD2' ' A' ' 771' ' ' PHE . 61.9 m-85 -54.25 -32.08 55.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.065 -0.971 . . . . 50.0 112.531 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.3 mm -57.1 -34.77 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.541 0.686 . . . . 50.0 110.355 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -46.59 -51.6 15.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.695 -1.139 . . . . 50.0 110.247 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.443 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.8 t80 -71.39 -42.62 68.15 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.418 -0.513 . . . . 50.0 111.201 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.451 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -54.62 -33.12 60.0 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 113.811 1.041 . . . . 50.0 113.811 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.4 t -79.49 -19.87 48.66 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 120.252 -1.53 . . . . 50.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -79.01 -21.6 46.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 110.252 -0.277 . . . . 50.0 110.252 176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.402 ' HB3' HE21 ' A' ' 856' ' ' GLN . 16.2 tt0 -61.0 -4.91 1.15 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.188 1.395 . . . . 50.0 113.091 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 p -76.25 -6.64 52.32 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.49 -0.756 . . . . 25.0 110.156 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -104.91 148.19 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -89.53 157.0 18.26 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.532 0.938 . . . . 50.0 113.532 -175.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.04 163.74 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.17 -0.923 . . . . 25.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.6 -38.78 78.71 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.656 1.217 . . . . 25.0 109.736 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.0 p -75.4 -18.07 60.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.772 -1.104 . . . . 25.0 112.042 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.59 -19.34 63.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.768 0.318 . . . . 25.0 110.876 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.12 -38.31 79.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.046 -1.094 . . . . 50.0 108.046 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.232 0.827 . . . . 50.0 113.232 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.54 -29.61 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.52 -0.548 . . . . 50.0 109.52 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 98.8 mtp -64.63 -9.68 21.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.408 0.521 . . . . 50.0 112.408 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.92 63.61 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.641 -0.662 . . . . 25.0 111.325 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -59.16 -26.3 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.313 0.578 . . . . 50.0 111.16 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.98 -23.37 66.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.171 0.434 . . . . 50.0 112.171 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -72.37 -36.44 68.74 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.187 -0.946 . . . . 50.0 108.823 175.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.34 -42.53 93.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 108.165 -1.05 . . . . 50.0 108.165 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.24 -46.83 88.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.251 -0.431 . . . . 50.0 111.589 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.67 91.65 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.698 0.761 . . . . 25.0 110.019 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.74 -87.79 1.05 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.739 -0.743 . . . . 25.0 111.775 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.02 -16.83 11.6 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -76.1 154.1 35.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 50.0 110.774 -173.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -81.22 -5.27 57.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.973 1.101 . . . . 50.0 113.973 -176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -147.18 164.17 34.0 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 107.499 -1.297 . . . . 50.0 107.499 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.7 tp -115.14 148.17 18.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.112 -1.44 . . . . 50.0 107.112 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.1 p -88.85 150.98 22.63 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 49.8 mtt -55.18 -30.84 60.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 50.0 111.143 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.43 -37.11 79.96 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.818 -0.628 . . . . 50.0 111.691 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.07 -35.05 78.99 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.016 -0.428 . . . . 50.0 109.964 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.78 -42.13 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.485 -0.932 . . . . 50.0 108.485 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -75.49 16.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 50.0 112.594 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -107.12 -32.41 7.84 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.94 -1.504 . . . . 50.0 106.94 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.1 -28.46 12.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.097 -0.956 . . . . 75.0 109.879 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.24 84.54 9.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.243 -0.28 . . . . 50.0 110.243 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -63.8 -22.84 69.26 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 C-N-CA 113.452 -3.899 . . . . 25.0 117.148 167.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -81.79 -168.43 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.531 0 N-CA-C 116.139 1.553 . . . . 50.0 116.139 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -26.3 6.42 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.386 1.254 . . . . 50.0 114.386 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 819' ' ' GLU . 12.1 mp0 -57.06 -31.21 64.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.391 -0.193 . . . . 50.0 110.518 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.42 -46.86 81.38 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.477 -0.764 . . . . 25.0 111.349 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.42 -30.96 57.64 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 119.909 -0.716 . . . . 50.0 112.773 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -51.6 60.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.661 -1.607 . . . . 50.0 106.661 170.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.25 -42.51 93.23 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.993 -0.549 . . . . 50.0 110.983 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.4 -40.35 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 122.746 0.419 . . . . 50.0 110.389 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.65 96.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.181 0.515 . . . . 25.0 111.676 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -77.8 -18.06 56.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.534 -0.303 . . . . 50.0 110.905 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.497 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.3 ttm -72.82 147.97 44.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 -175.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.14 139.85 87.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.993 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.29 92.89 1.1 Allowed 'Trans proline' 0 C--O 1.234 0.301 1 C-N-CA 125.97 4.446 . . . . 50.0 114.614 -175.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 0.9 OUTLIER -88.64 115.92 26.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.414 1.102 . . . . 50.0 113.794 -178.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.7 p -133.24 149.39 51.98 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.205 -2.146 . . . . 25.0 105.205 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 156.2 -172.48 34.07 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 109.275 -1.53 . . . . 50.0 109.275 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -74.75 -26.92 10.99 Favored 'Trans proline' 0 CA--C 1.534 0.475 0 CA-C-N 119.454 1.627 . . . . 50.0 114.922 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -87.18 -28.58 22.33 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.771 1.272 . . . . 50.0 108.552 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.0 m -80.28 158.7 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.843 -1.526 . . . . 50.0 111.083 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.22 162.18 45.5 Favored Pre-proline 0 CA--C 1.484 -1.581 0 N-CA-C 106.994 -1.484 . . . . 50.0 106.994 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.22 130.79 26.45 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 114.048 -3.501 . . . . 50.0 107.845 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 91.69 32.24 8.77 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.772 -0.728 . . . . 50.0 112.033 -173.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 136.64 52.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.94 -1.134 . . . . 25.0 107.94 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.93 154.3 44.98 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.278 0.473 . . . . 50.0 112.278 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 867' ' ' TYR . 18.5 t0 -87.74 108.84 19.31 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.467 0.651 . . . . 50.0 111.874 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -64.27 -34.83 79.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.705 -1.134 . . . . 50.0 112.276 -178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -98.67 -19.28 17.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.005 1.483 . . . . 50.0 115.005 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.2 t -108.84 18.91 20.24 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.004 0.431 . . . . 50.0 110.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 -53.14 158.95 1.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.048 1.129 . . . . 50.0 114.048 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.0 t -89.01 107.8 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.61 -0.723 . . . . 50.0 112.822 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 24.0 p -72.32 -16.68 61.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -86.38 13.11 8.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.819 -0.628 . . . . 25.0 110.464 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.9 mp 64.15 179.76 0.17 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.298 1.039 . . . . 50.0 113.155 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -68.42 -16.54 63.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 114.975 1.472 . . . . 50.0 114.975 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 61.65 47.01 93.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 115.159 0.824 . . . . 25.0 115.159 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.18 -40.86 86.63 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.142 1.164 . . . . 25.0 114.142 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 78.8 p -159.16 172.4 18.15 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.177 -0.327 . . . . 25.0 111.706 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 7.4 t0 60.2 42.78 14.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.823 1.249 . . . . 25.0 113.144 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.255 1.367 0 CA-C-O 116.416 -1.755 . . . . 25.0 107.734 178.729 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.004 0 CA-C-O 119.031 -0.871 . . . . 25.0 113.064 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.6 m 46.31 39.35 6.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 117.583 2.438 . . . . 25.0 117.583 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 42.3 m -132.39 150.52 52.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.23 1.014 . . . . 25.0 113.568 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.23 147.81 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.61 -1.256 . . . . 50.0 107.61 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 7.4 t -97.54 167.02 11.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.344 0.592 . . . . 25.0 110.477 176.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -30.14 71.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 50.0 109.748 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -75.95 -40.85 53.15 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 110.252 -0.277 . . . . 50.0 110.252 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -59.66 -40.78 88.87 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.822 0.344 . . . . 50.0 110.617 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.1 ptp -74.21 -21.41 59.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.349 -0.982 . . . . 50.0 108.349 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.91 -30.47 26.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.359 0.503 . . . . 50.0 112.359 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.47 -39.51 18.83 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.49 -0.756 . . . . 50.0 109.701 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -67.87 -25.48 65.54 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.304 0.853 . . . . 50.0 113.304 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -19.65 46.79 Favored 'General case' 0 C--O 1.198 -1.622 0 O-C-N 121.474 -0.767 . . . . 50.0 110.181 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.56 60.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.188 0.904 . . . . 25.0 110.046 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.6 t -62.14 -15.77 48.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.257 0.551 . . . . 50.0 109.869 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -24.05 54.59 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.097 0.777 . . . . 50.0 113.097 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -108.81 -6.08 15.99 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 120.746 0.308 . . . . 50.0 110.846 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -70.93 -54.43 11.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.559 0.577 . . . . 50.0 112.559 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . 0.406 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 3.4 m-85 -103.19 4.2 36.55 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 112.071 0.397 . . . . 50.0 112.071 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -56.09 100.8 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.935 1.35 . . . . 50.0 112.171 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.618 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 63.5 ttt180 -60.48 -33.76 73.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 112.771 -2.013 . . . . 50.0 112.998 -171.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -115.62 1.49 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 50.0 109.634 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . 0.256 31.8 p-80 51.72 33.21 10.61 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.533 1.679 . . . . 25.0 115.533 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 55.1 p -64.62 -17.27 63.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.867 0.867 . . . . 50.0 112.594 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 98.85 11.47 46.56 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 108.346 -1.901 . . . . 50.0 108.346 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.34 138.91 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.13 125.54 35.08 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 108.057 -1.09 . . . . 50.0 108.057 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.11 -167.74 38.56 Favored Glycine 0 C--O 1.194 -2.396 0 N-CA-C 109.054 -1.619 . . . . 50.0 109.054 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -61.11 -60.98 0.19 Allowed 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-N 120.921 2.361 . . . . 50.0 114.192 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -16.82 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.927 0.87 . . . . 50.0 110.394 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.618 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 13.7 mt-10 -87.84 -45.66 10.1 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.931 -0.577 . . . . 50.0 109.853 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -58.13 -41.19 83.12 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 50.0 111.447 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -25.27 68.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.904 -0.589 . . . . 50.0 110.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.2 -33.63 22.22 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . 0.406 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 43.4 t -62.32 -46.31 89.31 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 122.035 0.921 . . . . 50.0 108.936 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.3 -19.03 53.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 116.422 2.008 . . . . 50.0 116.422 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.97 -38.98 83.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 48.8 m -77.54 -9.19 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.01 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.06 -15.31 19.07 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.797 -0.446 . . . . 50.0 109.797 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.89 51.27 3.65 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 118.458 -1.829 . . . . 25.0 110.165 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.2 164.81 4.94 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.648 2.092 . . . . 50.0 116.648 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.0 17.71 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.853 0.835 . . . . 25.0 111.173 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.18 175.12 11.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 114.842 -1.072 . . . . 50.0 108.864 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -152.41 -173.73 22.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 105.321 -3.111 . . . . 50.0 105.321 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 7.62 13.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.285 1.042 . . . . 25.0 110.136 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.38 153.49 76.0 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.083 -0.962 . . . . 50.0 108.594 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.82 -23.89 41.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 116.599 -1.801 . . . . 50.0 112.055 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -50.01 41.0 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.772 -1.196 . . . . 50.0 107.772 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.92 89.19 Favored Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.396 -0.907 . . . . 50.0 114.265 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 118.311 1.055 . . . . 50.0 110.445 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.37 -40.86 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.73 -34.38 69.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.549 -0.751 . . . . 50.0 110.028 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.424 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.91 -44.13 97.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.289 -1.374 . . . . 50.0 107.289 175.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.81 72.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.689 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -60.86 -42.11 97.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.446 -0.946 . . . . 50.0 108.446 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.6 mt -72.06 -40.49 67.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -28.57 24.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.512 . . . . 50.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.86 -33.19 52.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.87 -0.605 . . . . 50.0 111.619 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.4 pt -84.19 -23.75 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.589 -0.694 . . . . 50.0 111.632 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 30.7 m -91.6 20.26 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.909 0.861 . . . . 50.0 110.207 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -122.83 61.1 15.97 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.459 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -1.98 8.5 Favored 'Trans proline' 0 C--N 1.348 0.509 0 N-CA-C 114.867 1.064 . . . . 50.0 114.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.23 -3.32 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 39.52 20.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.238 1.015 . . . . 50.0 112.287 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.06 -8.34 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.47 -0.786 . . . . 50.0 112.09 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.36 23.39 63.07 Favored Glycine 0 N--CA 1.459 0.226 0 C-N-CA 121.217 -0.516 . . . . 50.0 113.947 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.58 153.03 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.527 -0.545 . . . . 50.0 109.527 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.44 127.09 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.255 0.55 . . . . 50.0 110.239 -175.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.55 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.0 OUTLIER -108.47 169.91 8.35 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.575 -178.324 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.12 -45.37 43.43 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.327 1.232 . . . . 50.0 114.327 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.55 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.6 OUTLIER -71.59 -18.91 62.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 50.0 110.384 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.96 20.04 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.67 -0.696 . . . . 25.0 110.972 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 50.0 112.065 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 9.6 mm -62.45 -31.29 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.42 0.629 . . . . 50.0 110.381 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -44.63 -54.04 6.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.391 -1.277 . . . . 50.0 109.51 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . 0.42 ' HA ' ' HG3' ' A' ' 818' ' ' ARG . 2.1 t80 -72.54 -42.03 65.15 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.655 -0.418 . . . . 50.0 111.996 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -29.29 35.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.534 1.679 . . . . 50.0 115.534 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 37.4 t -84.63 -20.07 31.96 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.379 -1.451 . . . . 50.0 111.142 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . 0.42 ' HG3' ' HA ' ' A' ' 815' ' ' PHE . 5.2 mtm105 -71.97 -21.74 61.54 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.376 0.608 . . . . 50.0 109.914 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.553 ' HB3' HE22 ' A' ' 856' ' ' GLN . 2.8 tp10 -49.75 -22.79 1.51 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.367 1.867 . . . . 50.0 114.113 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.8 p -72.32 -2.13 17.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -105.16 158.82 16.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.886 0.475 . . . . 25.0 111.182 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -71.46 141.35 50.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.305 0.483 . . . . 50.0 112.305 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.48 158.96 43.22 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.63 -0.259 . . . . 25.0 111.326 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.64 -46.48 72.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.381 1.086 . . . . 25.0 109.775 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.8 p -64.15 -21.81 66.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.666 -1.152 . . . . 25.0 112.016 177.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.403 ' HA ' HG11 ' A' ' 829' ' ' VAL . . . -55.68 -25.53 40.17 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.95 1.093 . . . . 25.0 113.95 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.77 -33.13 72.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.748 0.785 . . . . 50.0 110.622 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -74.56 -37.69 62.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 50.0 111.857 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' ' 826' ' ' ALA . 12.6 p -80.87 -36.34 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.314 -0.555 . . . . 50.0 111.123 -175.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.6 ppp? -66.86 -13.18 61.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.232 0.539 . . . . 50.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.28 -19.56 47.08 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.8 p -56.0 -28.93 59.35 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 122.855 0.462 . . . . 50.0 112.041 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.25 -27.13 68.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.412 0.551 . . . . 50.0 111.7 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -36.02 69.73 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.734 -0.839 . . . . 50.0 108.734 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.33 -39.05 63.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.815 -1.55 . . . . 50.0 106.815 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.92 92.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.122 -0.945 . . . . 50.0 111.325 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.93 73.94 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.745 0.783 . . . . 25.0 109.282 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.83 -86.32 1.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.346 -0.702 . . . . 25.0 111.346 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -114.98 -21.76 9.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . 0.45 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 14.4 ptmt -73.69 155.78 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 50.0 110.294 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -85.53 -5.1 59.32 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.796 0.665 . . . . 50.0 112.796 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -140.89 162.72 34.79 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 106.774 -1.565 . . . . 50.0 106.774 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.571 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.3 tp -116.65 149.42 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 105.59 -2.004 . . . . 50.0 105.59 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 63.4 p -89.32 155.76 19.15 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.3 mtt -57.37 -34.28 68.68 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.281 -0.872 . . . . 50.0 112.159 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.571 ' HB2' HG13 ' A' ' 843' ' ' ILE . 15.8 mt-10 -72.52 -36.03 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.168 -0.333 . . . . 50.0 110.651 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.27 -41.4 81.1 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 106.751 -1.574 . . . . 50.0 106.751 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.93 31.74 0.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.329 0.651 . . . . 50.0 111.128 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.16 -32.7 2.01 Favored 'General case' 0 CA--C 1.49 -1.351 0 N-CA-C 105.882 -1.896 . . . . 50.0 105.882 -176.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.436 ' HG3' HD22 ' A' ' 852' ' ' LEU . 17.3 pt-20 -101.79 -22.34 14.4 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.174 -1.376 . . . . 50.0 108.546 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.436 HD22 ' HG3' ' A' ' 851' ' ' GLU . 4.8 mt -122.12 86.79 47.26 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.044 0.537 . . . . 50.0 111.951 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.61 -25.05 69.49 Favored 'Trans proline' 0 CA--C 1.577 2.662 0 C-N-CA 114.172 -3.419 . . . . 25.0 117.652 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.464 ' HB3' ' H ' ' A' ' 744' ' ' SER . 56.2 Cg_endo -77.25 -170.77 0.99 Allowed 'Trans proline' 0 C--N 1.364 1.367 0 N-CA-C 115.639 1.361 . . . . 50.0 115.639 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.45 0.42 5.21 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 113.08 0.77 . . . . 50.0 113.08 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.553 HE22 ' HB3' ' A' ' 819' ' ' GLU . 18.8 mm-40 -61.1 -30.37 70.31 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.439 -2.06 . . . . 50.0 105.439 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.82 68.57 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.894 -0.504 . . . . 25.0 111.527 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -35.95 81.74 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.21 -0.596 . . . . 50.0 110.428 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -52.78 63.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.573 -0.899 . . . . 50.0 108.573 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.6 m -62.87 -43.24 99.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.155 -0.475 . . . . 50.0 111.132 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.79 -40.25 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.778 0.431 . . . . 50.0 110.56 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -9.0 58.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.283 -0.417 . . . . 50.0 112.074 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.403 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.9 ttm -80.68 152.43 28.43 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.458 -0.776 . . . . 50.0 112.838 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -75.89 143.35 74.33 Favored Pre-proline 0 C--O 1.215 -0.712 0 O-C-N 122.024 -0.423 . . . . 25.0 111.596 -175.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.86 93.0 1.11 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 125.232 3.955 . . . . 50.0 115.103 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -91.22 115.46 28.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.312 1.053 . . . . 50.0 113.194 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 75.3 p -133.15 164.59 26.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 152.51 -179.98 28.56 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 109.431 -1.467 . . . . 50.0 109.431 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.39 -30.36 12.71 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 121.574 1.516 . . . . 50.0 114.997 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -91.0 -10.09 43.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 122.156 0.979 . . . . 50.0 109.226 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 16.2 m -83.35 164.41 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.652 -1.158 . . . . 50.0 110.294 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.7 m -115.89 157.55 44.52 Favored Pre-proline 0 C--N 1.314 -0.938 0 N-CA-C 106.041 -1.837 . . . . 50.0 106.041 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.65 58.93 4.79 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.378 2.052 . . . . 50.0 113.272 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 164.6 45.16 0.02 OUTLIER Glycine 0 C--O 1.219 -0.797 0 N-CA-C 107.978 -2.049 . . . . 50.0 107.978 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.82 136.6 52.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -141.73 149.68 40.82 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.419 0.155 . . . . 50.0 111.419 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -86.97 110.4 20.01 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.759 -0.588 . . . . 50.0 110.872 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -67.23 -37.43 83.55 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.205 -0.907 . . . . 50.0 111.253 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.12 -31.82 17.81 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.097 1.147 . . . . 50.0 114.097 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.7 t -99.69 20.11 14.66 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.04 0.447 . . . . 50.0 110.656 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.403 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.8 p90 -48.35 159.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.075 1.139 . . . . 50.0 114.075 175.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 47.7 t -79.43 122.88 26.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.583 -0.735 . . . . 50.0 110.339 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 56.0 p -75.48 -12.3 60.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.38 132.73 37.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.58 155.19 33.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.165 -0.925 . . . . 50.0 109.955 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -64.92 33.87 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 117.229 2.307 . . . . 50.0 117.229 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -86.84 -16.42 61.45 Favored Glycine 0 C--O 1.226 -0.347 0 O-C-N 121.609 -0.682 . . . . 25.0 112.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 56.49 -161.29 0.2 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.882 0.873 . . . . 25.0 111.959 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 91.7 p -156.54 169.31 24.94 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.795 -0.446 . . . . 25.0 109.795 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.3 -28.81 47.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.676 0.75 . . . . 25.0 109.65 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 C--O 1.254 1.325 0 CA-C-O 115.97 -1.967 . . . . 25.0 106.424 -179.422 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 118.712 -1.049 . . . . 25.0 111.429 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 13.5 m -112.94 9.98 18.88 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.3 p -72.63 -28.38 62.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.341 1.067 . . . . 25.0 110.379 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.26 143.17 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.978 -1.01 . . . . 50.0 108.537 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 41.8 m -88.01 160.2 17.97 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.725 -0.61 . . . . 25.0 110.204 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.17 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.699 -0.682 . . . . 50.0 110.641 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -82.85 -39.65 21.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 119.585 -0.245 . . . . 50.0 110.621 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' GLN . . . . . 0.434 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.7 tp60 -57.64 -41.11 80.74 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.346 0.593 . . . . 50.0 110.138 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -74.35 -21.05 59.87 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.706 -0.621 . . . . 50.0 109.336 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -33.39 23.48 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.946 -0.302 . . . . 50.0 111.132 -175.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -81.97 -36.92 27.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.784 -0.821 . . . . 50.0 108.784 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 33.6 t80 -69.94 -27.22 64.57 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 115.248 1.573 . . . . 50.0 115.248 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 755' ' ' PHE . 5.7 ppt_? -66.11 -12.72 57.49 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.691 -1.226 . . . . 50.0 107.691 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.62 -18.78 61.56 Favored 'General case' 0 CA--C 1.473 -2.011 0 O-C-N 118.831 -2.418 . . . . 25.0 110.781 173.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -19.78 65.93 Favored 'General case' 1 C--O 1.061 -8.848 0 N-CA-C 117.016 2.228 . . . . 50.0 117.016 177.193 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' PHE . . . . . 1.554 ' HB3' ' CB ' ' A' ' 755' ' ' PHE 0.322 0.0 OUTLIER -43.24 -37.35 2.12 Favored 'General case' 0 C--O 1.286 3.025 0 C-N-CA 129.054 2.942 . . . . 75.0 112.714 163.764 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -112.01 -15.34 13.31 Favored 'General case' 0 C--N 1.264 -3.131 0 N-CA-C 113.051 0.76 . . . . 50.0 113.051 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -65.3 -54.15 33.41 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.477 0.917 . . . . 50.0 113.477 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.28 2.97 40.36 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.352 0.407 . . . . 50.0 111.48 -177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -55.8 104.62 0.14 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.173 0.987 . . . . 50.0 112.717 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' ARG . . . . . 0.502 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 22.6 ttt-85 -55.36 -31.91 62.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.188 -1.824 . . . . 50.0 113.105 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -120.51 -1.91 10.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.422 -0.353 . . . . 50.0 111.145 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 60.95 33.91 19.65 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 71.9 p -73.14 -11.6 60.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 123.685 0.794 . . . . 50.0 112.728 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' GLY . . . . . 1.521 ' CA ' ' HA2' ' A' ' 764' ' ' GLY . . . 89.56 17.27 55.27 Favored Glycine 0 C--O 1.195 -2.292 0 N-CA-C 104.973 -3.251 . . . . 50.0 104.973 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' THR . . . . . 0.434 ' HB ' ' HB ' ' A' ' 806' ' ' VAL . 1.2 p -158.26 137.8 11.9 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.72 124.89 42.24 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 107.919 -1.141 . . . . 50.0 107.919 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.76 -166.12 38.45 Favored Glycine 0 C--O 1.196 -2.24 0 N-CA-C 109.242 -1.543 . . . . 50.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -61.82 -59.74 0.26 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.843 2.322 . . . . 50.0 115.038 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -17.01 63.91 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.418 1.104 . . . . 50.0 110.046 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.502 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.4 mt-10 -86.27 -47.77 9.12 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.92 -41.42 82.67 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 123.666 0.786 . . . . 50.0 112.037 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -23.54 67.27 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.864 -0.607 . . . . 50.0 110.688 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.36 21.04 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.39 -46.37 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.108 0.956 . . . . 50.0 108.744 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.04 -18.78 61.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 116.546 2.054 . . . . 50.0 116.546 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.69 -40.71 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 37.5 m -77.92 -5.85 52.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.376 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -107.72 -6.48 16.8 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.008 -0.542 . . . . 50.0 110.774 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.63 50.97 4.48 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 118.711 -1.709 . . . . 25.0 112.68 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.1 162.96 18.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 116.942 2.201 . . . . 50.0 116.942 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -98.92 15.91 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.639 -175.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.26 174.99 12.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.204 -0.907 . . . . 50.0 109.783 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -164.95 -164.28 19.97 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 104.854 -3.299 . . . . 50.0 104.854 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -86.2 18.23 3.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.48 1.14 . . . . 25.0 109.006 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.75 152.53 96.24 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 114.846 -1.07 . . . . 50.0 109.692 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.79 -20.64 58.75 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 117.646 -1.103 . . . . 50.0 113.283 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -86.12 -47.51 9.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.152 0.501 . . . . 50.0 109.652 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -69.76 -27.67 72.97 Favored Glycine 0 C--O 1.207 -1.564 0 C-N-CA 120.374 -0.917 . . . . 50.0 115.116 -175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.5 -28.19 69.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 1.481 . . . . 50.0 110.552 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.18 -41.17 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -70.39 -38.6 74.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.94 -1.027 . . . . 50.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -49.06 75.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.572 -1.27 . . . . 50.0 107.572 176.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.77 76.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 25.0 111.679 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -63.09 -40.5 97.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.7 mt -70.03 -43.03 79.56 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 N-CA-C 108.295 -1.002 . . . . 50.0 108.295 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -23.71 29.84 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.13 0.491 . . . . 50.0 110.855 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.9 t -81.14 -26.51 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.407 . . . . 50.0 112.048 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.9 pt -94.02 -24.94 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.883 0.697 . . . . 50.0 112.883 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' VAL . . . . . . . . . . . . . 35.9 m -87.38 24.0 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.558 1.171 . . . . 50.0 109.533 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.34 60.1 28.37 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.946 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.77 1.67 4.87 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 115.087 1.149 . . . . 50.0 115.087 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -114.34 -4.7 12.96 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 107.546 -1.279 . . . . 50.0 107.546 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 53.14 40.86 31.92 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.506 1.122 . . . . 50.0 113.673 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.23 -11.23 22.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.14 -0.936 . . . . 50.0 109.899 178.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.73 22.73 49.03 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.202 -0.454 . . . . 50.0 112.88 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 765' ' ' THR . 0.0 OUTLIER -145.06 153.29 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 122.945 0.498 . . . . 50.0 110.117 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.62 129.24 42.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.425 0.631 . . . . 50.0 109.554 -177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' THR . . . . . 0.416 ' HG1' ' NE2' ' A' ' 810' ' ' GLN . 0.2 OUTLIER -110.59 164.5 12.66 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.42 -178.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.2 OUTLIER -47.27 -44.33 22.99 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 114.209 1.189 . . . . 50.0 114.209 -179.305 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' GLN . . . . . 0.416 ' NE2' ' HG1' ' A' ' 808' ' ' THR . 0.8 OUTLIER -72.5 -18.83 61.63 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 122.023 0.916 . . . . 50.0 110.841 -178.505 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.24 -38.81 15.99 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 114.73 -1.123 . . . . 25.0 111.338 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' PHE . . . . . 0.492 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 71.8 m-85 -52.8 -37.34 59.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 122.766 1.27 . . . . 50.0 111.413 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.3 mm -63.32 -32.36 56.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 114.018 -1.446 . . . . 50.0 111.823 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.44 -46.02 62.84 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.488 -0.778 . . . . 50.0 110.14 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -71.44 -44.43 64.84 Favored 'General case' 0 C--O 1.201 -1.463 0 N-CA-C 108.851 -0.796 . . . . 50.0 108.851 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.429 ' HA ' ' HE2' ' A' ' 816' ' ' MET . 0.9 OUTLIER -61.9 -21.85 65.08 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 116.49 2.033 . . . . 50.0 116.49 -176.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 17.9 t -80.94 -19.53 43.98 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 120.495 -1.378 . . . . 50.0 109.08 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -72.79 -21.43 60.99 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 116.065 -0.516 . . . . 50.0 110.019 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.407 ' HB2' ' HE2' ' A' ' 816' ' ' MET . 28.1 tt0 -54.42 -20.26 7.15 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.233 0.958 . . . . 50.0 111.709 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 45.1 p -63.94 -13.31 44.87 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.927 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.7 125.97 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.95 152.32 40.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.868 1.062 . . . . 50.0 113.868 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.6 158.4 44.52 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.963 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.46 -44.67 89.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.635 1.207 . . . . 25.0 109.984 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 14.0 p -72.62 -15.93 61.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.528 -1.214 . . . . 25.0 113.369 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.31 -23.37 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.86 -33.54 71.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.728 0.775 . . . . 50.0 110.148 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -70.53 -40.49 73.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.548 . . . . 50.0 111.921 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.12 -34.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.1 mtm -63.85 -14.14 50.7 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 112.195 0.442 . . . . 50.0 112.195 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.81 -19.4 4.3 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.14 -0.35 . . . . 25.0 111.47 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -52.77 -29.6 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.165 0.586 . . . . 50.0 112.431 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -23.55 66.14 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.221 0.919 . . . . 50.0 112.569 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -37.59 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.97 -1.081 . . . . 50.0 108.839 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.77 -42.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.487 -0.324 . . . . 50.0 111.52 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.851 0.834 . . . . 25.0 109.074 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 75.82 -90.27 0.87 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.669 -0.776 . . . . 25.0 112.307 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -114.97 -1.01 13.21 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -94.46 157.74 15.87 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.744 -0.598 . . . . 50.0 109.921 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -91.4 0.39 57.52 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.618 1.34 . . . . 50.0 114.618 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.53 162.45 36.56 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 105.509 -2.034 . . . . 50.0 105.509 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' ILE . . . . . 0.416 HG13 ' HB2' ' A' ' 847' ' ' GLU . 4.9 tp -114.91 149.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 106.762 -1.57 . . . . 50.0 106.762 176.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.0 p -89.85 151.64 21.66 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.6 mtt -55.19 -34.37 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.094 0.473 . . . . 50.0 109.792 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.25 -22.22 61.27 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.46 0.541 . . . . 50.0 112.46 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 843' ' ' ILE . 6.6 mt-10 -75.4 -32.59 60.82 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.782 -0.574 . . . . 50.0 109.501 177.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' A' ' 850' ' ' ARG . 59.3 mt -71.64 -39.25 70.5 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 106.987 -1.486 . . . . 50.0 106.987 176.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -79.75 33.95 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.245 -0.889 . . . . 50.0 109.811 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 848' ' ' LEU . 4.5 ttp180 -124.27 -32.4 3.19 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 106.395 -1.706 . . . . 50.0 106.395 -176.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.426 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 24.4 pt-20 -108.69 -18.97 13.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.763 -1.562 . . . . 50.0 108.283 177.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' LEU . . . . . 0.426 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.7 mt -121.74 81.0 40.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.086 -0.506 . . . . 50.0 111.051 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.97 -23.56 74.09 Favored 'Trans proline' 0 CA--C 1.581 2.843 0 C-N-CA 113.426 -3.916 . . . . 25.0 117.765 167.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 58.5 Cg_endo -79.9 -170.03 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 118.153 2.328 . . . . 50.0 118.153 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.41 -25.51 6.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.68 1.192 . . . . 50.0 112.383 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.61 -30.92 65.72 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.718 -0.614 . . . . 75.0 112.222 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.55 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.264 -0.574 . . . . 25.0 110.148 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.17 -34.48 73.04 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 120.123 -0.631 . . . . 50.0 111.325 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.02 68.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.802 -0.636 . . . . 50.0 109.334 173.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.6 m -63.87 -44.11 94.09 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.445 -0.343 . . . . 50.0 110.867 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.27 -41.75 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.874 0.47 . . . . 50.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.97 92.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.412 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -10.15 57.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.169 0.433 . . . . 50.0 112.169 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.1 ttm -80.16 151.88 29.51 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.845 -0.534 . . . . 50.0 111.535 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.27 140.17 76.09 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.743 -175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.85 94.88 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 125.261 3.974 . . . . 50.0 114.9 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -93.56 120.35 33.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.966 0.888 . . . . 50.0 113.071 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -138.52 147.05 42.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.27 178.02 32.9 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 110.027 -1.229 . . . . 50.0 110.027 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.71 -21.53 14.49 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 123.394 2.729 . . . . 50.0 113.648 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -85.18 -23.81 28.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 66.5 m -90.97 174.93 7.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.832 -1.531 . . . . 50.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.63 160.19 62.03 Favored Pre-proline 0 CA--C 1.485 -1.537 0 N-CA-C 106.701 -1.592 . . . . 50.0 106.701 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.52 134.85 39.95 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 114.777 -3.015 . . . . 50.0 108.376 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 81.75 43.54 8.29 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 120.335 -0.936 . . . . 50.0 111.958 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.92 140.37 47.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.8 mt -141.96 153.42 44.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.976 0.362 . . . . 50.0 111.976 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -90.07 107.12 18.93 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.689 0.756 . . . . 50.0 110.349 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -68.0 -35.44 78.31 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.28 -1.327 . . . . 50.0 111.509 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -92.26 -20.82 20.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.372 1.249 . . . . 50.0 114.372 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.1 t -109.54 20.49 18.11 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.03 0.443 . . . . 50.0 110.0 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 -48.16 156.59 0.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.051 1.501 . . . . 50.0 115.051 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 34.8 t -83.58 111.53 19.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.071 1.138 . . . . 50.0 114.071 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 7.8 t -72.59 -11.28 60.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.38 14.26 19.03 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.177 0.591 . . . . 25.0 109.574 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.1 -165.89 0.22 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.272 -0.876 . . . . 50.0 110.464 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.39 2.42 1.26 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.953 1.464 . . . . 50.0 114.953 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 87.63 -173.78 44.07 Favored Glycine 0 N--CA 1.455 -0.088 0 C-N-CA 120.961 -0.638 . . . . 25.0 113.001 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -109.26 -18.82 13.51 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 75.1 p -156.23 166.96 31.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -99.55 -0.49 40.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.895 0.478 . . . . 25.0 111.234 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.253 1.27 0 CA-C-O 116.886 -1.531 . . . . 25.0 109.441 -178.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.04 145.17 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.959 0.885 . . . . 25.0 112.236 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 744' ' ' SER . . . . . 0.462 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 31.0 t -90.73 158.07 17.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.889 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -63.72 -26.63 68.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.578 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -81.93 -37.82 26.2 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 747' ' ' GLN . . . . . 0.469 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 37.7 tp60 -60.56 -41.27 94.24 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.627 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.425 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.8 ptp -73.42 -21.12 60.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.749 -0.78 . . . . 25.0 109.184 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.29 -35.03 31.59 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.67 -0.412 . . . . 25.0 111.63 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.27 -34.45 23.81 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.387 -0.525 . . . . 25.0 109.86 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.1 t80 -72.79 -22.74 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.411 -0.806 . . . . 25.0 112.903 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -63.28 -20.17 65.23 Favored 'General case' 0 C--O 1.204 -1.341 0 O-C-N 121.147 -0.971 . . . . 25.0 109.056 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.91 -21.95 62.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.723 0.692 . . . . 25.0 109.966 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.0 t -63.92 -13.26 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.091 -0.381 . . . . 25.0 111.061 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -23.61 49.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 172.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -3.79 12.48 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.862 0.363 . . . . 25.0 111.249 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -69.71 -54.93 11.47 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.972 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.427 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.12 2.84 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.157 0.429 . . . . 25.0 112.157 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 15.1 t0 -54.88 104.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.868 0.842 . . . . 50.0 112.773 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.525 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -55.59 -36.24 66.67 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 113.986 -1.461 . . . . 25.0 112.568 -173.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -115.59 -3.51 12.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.438 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 61.47 31.96 18.93 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 64.7 p -69.58 -11.86 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.56 15.48 59.98 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 108.727 -1.749 . . . . 25.0 108.727 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.42 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.247 -0.976 . . . . 25.0 108.42 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -94.91 124.76 39.14 Favored 'General case' 0 C--O 1.197 -1.687 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.08 -163.58 30.66 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 109.66 -1.376 . . . . 25.0 109.66 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -62.6 -60.57 0.18 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 CA-C-N 120.642 2.221 . . . . 25.0 114.831 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -68.64 -19.05 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.422 1.106 . . . . 25.0 109.614 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.525 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 10.7 mt-10 -83.26 -46.71 12.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.528 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.3 t80 -60.23 -41.6 93.43 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 123.215 0.606 . . . . 25.0 111.263 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -23.78 66.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.751 -0.659 . . . . 25.0 109.905 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.02 23.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.1 t -62.99 -45.02 94.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.976 0.893 . . . . 25.0 109.329 176.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.97 -18.85 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 115.798 1.777 . . . . 25.0 115.798 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.84 -38.58 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.0 m -78.52 -4.99 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.501 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.9 -13.55 15.77 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 83.22 52.41 3.8 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 118.569 -1.777 . . . . 25.0 111.122 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.09 162.87 5.3 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 116.799 2.148 . . . . 25.0 116.799 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -91.69 12.74 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.871 0.868 . . . . 25.0 110.942 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 169.08 20.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.34 -171.15 18.37 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.263 -0.97 . . . . 25.0 111.209 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.63 55.13 3.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.613 0.72 . . . . 25.0 109.39 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.46 162.31 53.59 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.04 -14.58 26.16 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 117.741 -1.039 . . . . 25.0 114.169 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -87.0 -44.63 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.5 73.82 Favored Glycine 0 C--O 1.204 -1.775 0 C-N-CA 120.369 -0.919 . . . . 25.0 112.688 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.03 -25.88 66.49 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 118.493 1.146 . . . . 25.0 110.767 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.91 -39.35 51.18 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.48 -34.62 67.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.641 -0.709 . . . . 25.0 110.418 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.13 -31.32 69.92 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.967 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -40.54 94.02 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.0 -41.11 59.83 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -25.77 35.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.391 0.615 . . . . 25.0 110.98 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -78.66 -30.3 46.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 25.0 111.975 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.08 -23.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.826 -0.546 . . . . 25.0 111.92 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.552 HG23 HG22 ' A' ' 807' ' ' VAL . 32.5 m -92.59 23.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 122.324 1.059 . . . . 25.0 109.827 177.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -121.7 61.16 11.98 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.585 -1.188 . . . . 25.0 109.101 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.62 -8.02 22.51 Favored 'Trans proline' 0 C--N 1.35 0.642 0 N-CA-C 114.495 0.921 . . . . 25.0 114.495 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.55 -2.8 19.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 56.46 41.43 28.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.899 0.88 . . . . 25.0 113.248 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.435 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.14 -7.88 16.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.625 -1.171 . . . . 25.0 110.799 177.234 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.96 23.56 63.63 Favored Glycine 0 N--CA 1.458 0.145 0 C-N-CA 121.117 -0.563 . . . . 25.0 113.645 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.435 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.27 154.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.552 HG22 HG23 ' A' ' 799' ' ' VAL . 48.6 t -93.7 125.66 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.304 0.573 . . . . 25.0 109.636 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.2 p -105.94 168.61 9.0 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.904 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.442 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -50.64 -44.17 57.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 177.765 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -74.01 -17.42 60.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.079 0.466 . . . . 25.0 110.157 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.45 -37.1 20.14 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.913 -0.585 . . . . 25.0 111.246 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.445 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 65.4 m-85 -59.41 -33.9 71.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.5 . . . . 25.0 111.828 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.425 HG21 ' HE2' ' A' ' 748' ' ' MET . 10.4 mm -62.65 -32.2 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 121.82 0.819 . . . . 25.0 110.231 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -49.97 -42.1 48.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.472 -1.24 . . . . 25.0 110.996 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.12 -43.58 28.5 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 120.819 -0.352 . . . . 25.0 111.046 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -31.43 43.36 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 42.6 t -77.79 -19.72 54.53 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.406 -1.434 . . . . 25.0 111.132 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -74.67 -21.47 59.39 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.931 -0.396 . . . . 25.0 109.931 177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.21 -19.07 2.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.703 1.201 . . . . 25.0 111.969 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.2 p -73.3 5.94 3.24 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -120.57 153.78 36.3 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.129 0.572 . . . . 25.0 110.532 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.05 151.63 42.5 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.432 1.271 . . . . 25.0 114.432 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.25 171.28 16.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.712 174.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -87.34 -35.47 18.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.967 0.889 . . . . 25.0 110.417 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.7 p -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.985 -1.007 . . . . 25.0 110.316 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -55.98 -22.24 25.61 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -36.3 76.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.906 0.86 . . . . 25.0 110.522 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -68.57 -41.96 78.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 25.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 826' ' ' ALA . 8.8 p -76.32 -33.68 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.175 -0.61 . . . . 25.0 109.37 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 93.1 mtp -66.23 -20.78 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.896 -0.503 . . . . 25.0 112.247 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.78 65.26 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 25.0 111.011 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 95.4 p -60.28 -26.56 66.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.705 0.631 . . . . 25.0 112.705 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.06 -26.53 68.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 118.206 0.457 . . . . 25.0 111.472 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.29 -35.59 68.75 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.626 -0.672 . . . . 25.0 109.916 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -71.95 -40.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -43.5 97.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.681 -0.691 . . . . 25.0 110.791 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.1 76.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.571 0.7 . . . . 25.0 109.871 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.11 -88.5 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -114.83 -18.59 11.29 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.461 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.1 ptmt -76.73 155.98 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.925 -0.398 . . . . 25.0 109.925 -172.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -90.09 0.24 57.25 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -144.05 160.31 41.1 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 104.92 -2.252 . . . . 25.0 104.92 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -113.88 149.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 105.733 -1.951 . . . . 25.0 105.733 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.4 p -88.6 154.91 19.94 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.56 -32.56 69.02 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -66.61 -32.93 74.57 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.993 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.98 -37.49 69.88 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.925 -0.484 . . . . 25.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.08 -37.95 84.88 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -82.46 32.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.823 -0.626 . . . . 25.0 110.84 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -124.81 -38.55 2.35 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 106.471 -1.678 . . . . 25.0 106.471 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.539 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -94.42 -20.45 19.7 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.28 -1.327 . . . . 25.0 108.613 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.539 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.4 mt -124.1 85.56 54.64 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -54.62 -33.17 78.23 Favored 'Trans proline' 0 CA--C 1.58 2.779 0 N-CA-C 118.491 2.458 . . . . 25.0 118.491 165.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 46.7 Cg_endo -81.62 -167.55 0.51 Allowed 'Trans proline' 0 C--N 1.364 1.355 0 N-CA-C 117.262 1.985 . . . . 25.0 117.262 -174.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.43 -23.01 22.84 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -58.92 -29.86 67.4 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.38 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 852' ' ' LEU . . . -64.47 -47.93 77.13 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.37 -0.832 . . . . 25.0 111.727 175.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.41 -34.78 72.9 Favored 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.298 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -50.54 72.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -63.13 -44.35 95.8 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.824 -0.171 . . . . 25.0 110.638 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.57 -41.42 87.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.793 0.33 . . . . 25.0 110.494 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.14 99.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -83.99 -12.65 54.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.813 0.301 . . . . 25.0 111.813 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.475 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.9 ttm -77.74 151.64 34.01 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.877 -0.514 . . . . 25.0 110.924 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.63 129.28 94.11 Favored Pre-proline 0 C--O 1.223 -0.312 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.153 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.43 87.13 1.26 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.397 2.065 . . . . 25.0 114.762 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 107.585 -1.265 . . . . 25.0 107.585 178.601 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.624 0 N-CA-C 114.881 0.712 . . . . 25.0 114.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.57 142.74 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -142.01 146.85 36.01 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 122.432 0.293 . . . . 25.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.32 109.17 18.8 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.488 -0.758 . . . . 25.0 111.411 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.96 -38.27 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.225 -0.898 . . . . 25.0 110.872 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.28 -29.04 19.48 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.692 0.997 . . . . 25.0 113.692 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -98.93 18.44 17.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.943 0.401 . . . . 25.0 110.715 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.475 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 10.9 p90 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 115.367 1.617 . . . . 25.0 115.367 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 CA--C 1.537 0.442 0 CA-C-O 121.949 0.88 . . . . 25.0 109.645 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.87 148.58 10.57 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 CA-C-O 122.018 0.913 . . . . 25.0 111.504 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.4 t -96.78 164.62 12.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.401 -0.818 . . . . 25.0 109.705 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -69.12 -29.14 67.13 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -77.95 -39.63 42.0 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 747' ' ' GLN . . . . . 0.414 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.6 tp60 -59.49 -41.42 89.81 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.337 0.398 . . . . 25.0 110.615 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.476 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.4 ptp -74.04 -21.16 60.06 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 119.956 -0.698 . . . . 25.0 109.192 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.35 -34.99 31.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.95 -0.3 . . . . 25.0 111.642 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -84.34 -35.43 23.25 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.495 -0.482 . . . . 25.0 109.826 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 73.5 t80 -72.88 -22.02 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.21 0.819 . . . . 25.0 113.21 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -62.92 -19.55 64.34 Favored 'General case' 0 C--O 1.201 -1.478 0 O-C-N 121.195 -0.94 . . . . 25.0 108.65 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.43 63.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.039 0.836 . . . . 25.0 110.283 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.6 t -63.75 -13.71 46.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.975 0.417 . . . . 25.0 110.935 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -23.7 47.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.001 1.111 . . . . 25.0 114.001 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -2.22 12.26 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 120.693 0.282 . . . . 25.0 111.517 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -56.97 6.9 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.696 0.284 . . . . 25.0 111.037 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.12 5.52 35.15 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 20.0 t0 -58.06 103.18 0.13 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.935 0.874 . . . . 50.0 111.158 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.537 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 27.2 mtt180 -60.07 -33.18 71.71 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 113.894 -1.503 . . . . 25.0 113.386 -172.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -115.56 -3.23 12.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.059 -0.519 . . . . 50.0 110.225 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.7 t60 61.04 33.29 19.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.465 1.283 . . . . 25.0 114.465 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 46.7 p -69.47 -11.09 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.35 0.66 . . . . 25.0 112.704 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.39 61.72 Favored Glycine 0 CA--C 1.51 -0.266 0 N-CA-C 108.342 -1.903 . . . . 25.0 108.342 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.5 p -154.32 136.41 14.72 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.032 -1.084 . . . . 25.0 108.583 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -93.36 126.27 38.4 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.09 -167.55 35.86 Favored Glycine 0 C--O 1.195 -2.32 0 N-CA-C 108.961 -1.655 . . . . 25.0 108.961 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.49 -60.62 0.21 Allowed 'Trans proline' 0 C--N 1.329 -0.497 0 CA-C-N 120.808 2.304 . . . . 25.0 113.933 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.48 -16.81 64.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.817 0.818 . . . . 25.0 110.644 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.537 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 15.6 mt-10 -87.06 -45.62 10.56 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.036 -0.529 . . . . 50.0 110.331 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.438 ' CG ' HG21 ' A' ' 807' ' ' VAL . 31.0 t80 -58.8 -39.44 81.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.713 0.805 . . . . 25.0 111.713 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -24.99 67.91 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.607 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -33.33 21.84 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.16 -44.83 94.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.195 0.998 . . . . 25.0 109.368 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.91 -18.88 61.78 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.202 1.927 . . . . 25.0 116.202 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.24 -37.88 79.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.833 -0.802 . . . . 25.0 108.833 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 32.1 m -72.64 -12.49 61.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.59 -18.98 17.08 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.484 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.59 52.49 3.34 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 118.79 -1.672 . . . . 25.0 109.892 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 163.48 3.19 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 116.42 2.008 . . . . 25.0 116.42 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -90.89 13.01 17.68 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.068 0.937 . . . . 25.0 111.018 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.21 174.91 10.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.26 -168.04 19.21 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.59 -1.404 . . . . 25.0 109.59 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 56.5 3.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.894 0.854 . . . . 25.0 109.743 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 785' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 14.6 t70 -126.5 145.0 51.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 786' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 63.1 Cg_endo -63.87 -21.21 69.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 121.426 1.417 . . . . 25.0 113.575 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -81.06 -41.68 22.22 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.42 -30.29 75.03 Favored Glycine 0 C--O 1.205 -1.7 0 C-N-CA 120.297 -0.954 . . . . 25.0 111.955 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.71 -28.17 68.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.117 0.958 . . . . 25.0 110.393 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.42 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.51 -34.75 70.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.475 0.655 . . . . 25.0 110.286 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 792' ' ' PHE . . . . . 0.402 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 174.567 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.02 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.806 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -59.89 -41.48 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 173.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 792' ' ' PHE . 11.1 mt -74.42 -39.95 48.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -26.69 37.42 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.553 0.692 . . . . 25.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 19.3 t -77.98 -29.42 49.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.089 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.5 pt -90.58 -23.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.072 0.396 . . . . 25.0 111.821 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.605 HG23 HG22 ' A' ' 807' ' ' VAL . 30.1 m -93.4 23.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.482 1.134 . . . . 25.0 109.347 177.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -124.83 60.27 25.93 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 114.34 -1.3 . . . . 25.0 107.863 169.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.1 -6.71 19.64 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 118.165 -0.756 . . . . 25.0 114.049 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -102.86 -0.54 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 803' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' A' ' 803' ' ' ARG . 0.0 OUTLIER 54.13 40.42 31.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.22 1.008 . . . . 25.0 113.695 178.397 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.466 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.61 -8.22 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.501 177.427 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.53 22.16 62.85 Favored Glycine 0 CA--C 1.517 0.159 0 C-N-CA 121.131 -0.557 . . . . 25.0 113.458 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.466 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.79 154.05 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.275 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.605 HG22 HG23 ' A' ' 799' ' ' VAL . 48.5 t -95.54 123.76 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.56 169.82 8.3 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.364 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.464 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.68 -43.32 47.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.188 1.181 . . . . 25.0 114.188 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -17.94 60.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.214 0.53 . . . . 25.0 110.532 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.58 -37.58 19.41 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.105 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.464 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 63.2 m-85 -59.24 -32.22 69.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 25.0 111.249 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.476 HG21 ' HE2' ' A' ' 748' ' ' MET . 11.1 mm -62.75 -32.69 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.916 0.865 . . . . 25.0 110.365 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.16 -39.82 57.18 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 114.588 -1.187 . . . . 25.0 111.207 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.39 -43.29 23.69 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 120.847 0.356 . . . . 25.0 110.828 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.75 37.51 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.127 1.529 . . . . 25.0 115.127 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.5 t -78.42 -19.75 52.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.248 -1.533 . . . . 25.0 111.38 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -75.06 -21.42 59.02 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.365 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.74 -22.44 1.39 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.346 1.458 . . . . 25.0 113.546 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.3 p -75.27 8.47 2.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -87.05 -127.77 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -154.65 150.0 27.19 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.73 170.18 21.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.041 1.497 . . . . 25.0 115.041 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -86.66 -37.07 18.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.184 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.5 p -64.16 -21.39 66.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.562 0.745 . . . . 25.0 110.158 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -54.95 -27.19 41.7 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.619 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.54 -36.9 74.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.796 0.807 . . . . 25.0 110.909 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -71.85 -43.0 66.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.802 -0.636 . . . . 25.0 111.926 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.7 p -74.23 -32.84 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.2 -0.6 . . . . 25.0 110.207 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.33 -19.03 65.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.897 -0.502 . . . . 25.0 111.953 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.62 65.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.91 -0.493 . . . . 25.0 110.605 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.9 m -64.94 -22.74 67.05 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -65.21 -22.94 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.85 -0.531 . . . . 25.0 110.932 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.04 -34.67 75.59 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.657 -0.652 . . . . 25.0 109.75 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.0 -38.99 44.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.307 -1.368 . . . . 25.0 107.307 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.33 90.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.448 -0.796 . . . . 25.0 110.354 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.63 78.16 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.722 0.772 . . . . 25.0 110.376 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 84.79 -99.13 2.27 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -114.97 -1.23 13.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.56 0.68 . . . . 25.0 112.384 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -87.74 155.5 19.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -90.49 0.67 57.23 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 113.913 1.079 . . . . 25.0 113.913 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -146.44 161.67 39.9 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 104.615 -2.365 . . . . 25.0 104.615 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 2.9 tp -114.08 148.62 16.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.117 -1.808 . . . . 25.0 106.117 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 55.7 p -87.59 154.83 20.3 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 845' ' ' MET . . . . . 0.448 ' HG2' HD11 ' A' ' 877' ' ' LEU . 62.4 mtt -57.62 -34.99 69.89 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -63.87 -35.73 81.59 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.585 -0.734 . . . . 25.0 112.377 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.51 -36.9 79.51 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.136 -0.353 . . . . 25.0 110.587 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.36 -41.89 75.95 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 175.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -75.38 14.21 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -113.02 -34.29 5.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.95 -24.44 20.15 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 89.91 42.54 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.887 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.37 -34.69 81.74 Favored 'Trans proline' 0 CA--C 1.572 2.379 0 N-CA-C 117.613 2.12 . . . . 25.0 117.613 164.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 41.0 Cg_endo -82.47 -168.73 0.63 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 N-CA-C 116.552 1.712 . . . . 25.0 116.552 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.24 -16.61 22.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.787 -1.097 . . . . 25.0 112.845 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -58.83 -31.63 68.66 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.517 -0.739 . . . . 25.0 110.303 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.94 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.501 -0.48 . . . . 25.0 111.577 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.47 -32.37 62.55 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -49.76 72.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 172.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 94.8 m -64.36 -43.77 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.54 -42.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.222 0.534 . . . . 25.0 110.593 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.86 89.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.693 -0.685 . . . . 25.0 112.577 -174.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -16.12 34.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 7.7 ttm -72.67 157.37 37.67 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.713 -0.617 . . . . 25.0 110.124 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.53 131.05 86.65 Favored Pre-proline 0 C--O 1.221 -0.442 0 O-C-N 121.524 -0.735 . . . . 25.0 109.782 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.28 89.39 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.289 2.659 . . . . 25.0 113.433 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 179.066 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.611 0 CA-C-O 119.391 -0.672 . . . . 25.0 113.214 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.95 140.5 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 877' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 845' ' ' MET . 3.7 mt -141.92 149.56 40.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.197 -0.297 . . . . 25.0 110.197 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.07 110.97 21.62 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.767 -0.773 . . . . 25.0 111.136 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -67.5 -38.0 83.66 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.342 -0.844 . . . . 25.0 111.598 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.2 -25.73 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.0 t -104.14 19.42 20.16 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.674 0.273 . . . . 25.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 114.543 1.312 . . . . 25.0 114.543 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.855 0.836 . . . . 25.0 111.778 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 743' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -66.82 149.93 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.204 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.0 p -97.42 164.98 12.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -65.6 -25.52 67.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.051 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.74 -36.3 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.709 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -61.44 -41.01 96.53 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.262 0.553 . . . . 25.0 110.22 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -73.63 -20.94 60.44 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -32.94 24.2 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.725 -0.39 . . . . 25.0 110.732 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -36.96 23.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 56.7 t80 -71.94 -24.24 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -62.36 -19.6 63.54 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.14 63.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.192 0.906 . . . . 25.0 110.638 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.3 t -64.09 -14.53 55.31 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.103 -0.373 . . . . 25.0 110.875 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -21.48 29.08 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 172.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -0.31 10.02 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.658 0.266 . . . . 25.0 111.586 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -54.56 8.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.977 0.417 . . . . 25.0 111.021 -178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.422 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.9 m-85 -104.05 4.04 33.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.343 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.427 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 23.2 t0 -58.37 103.47 0.15 Allowed 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.777 0.799 . . . . 50.0 111.634 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.494 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 56.9 mtt180 -57.95 -32.12 67.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 114.353 -1.294 . . . . 25.0 113.674 -173.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -118.23 1.58 11.9 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.519 0.512 . . . . 75.0 111.197 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 54.82 34.31 21.68 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.1 p -69.48 -8.82 50.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.229 0.825 . . . . 25.0 113.229 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 15.51 65.26 Favored Glycine 0 CA--C 1.51 -0.258 0 N-CA-C 108.615 -1.794 . . . . 25.0 108.615 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -154.65 136.32 14.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.101 -1.05 . . . . 25.0 109.104 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.05 126.29 41.18 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.93 -168.22 39.15 Favored Glycine 0 C--O 1.195 -2.322 0 N-CA-C 108.913 -1.675 . . . . 25.0 108.913 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.76 -60.53 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.478 0 CA-C-N 121.082 2.441 . . . . 25.0 114.471 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -16.86 64.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.624 0.726 . . . . 25.0 110.355 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.494 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 14.8 mt-10 -85.74 -46.2 10.92 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.931 176.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.433 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.9 t80 -59.06 -40.1 84.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.071 0.949 . . . . 25.0 111.489 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.91 66.41 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.63 -34.31 21.41 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 50.1 t -61.71 -46.05 91.33 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.177 0.989 . . . . 25.0 109.697 176.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.09 -18.73 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 116.153 1.909 . . . . 25.0 116.153 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.87 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 44.4 m -76.33 -6.88 53.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.0 -14.25 16.55 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.26 47.13 6.23 Favored Glycine 0 C--O 1.219 -0.838 0 C-N-CA 118.65 -1.738 . . . . 25.0 110.302 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.32 160.29 1.17 Allowed 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 117.06 2.244 . . . . 25.0 117.06 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -93.31 20.92 6.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.712 0.768 . . . . 25.0 111.063 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.82 172.64 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 106.542 -1.651 . . . . 25.0 106.542 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 104.21 167.46 24.87 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 121.346 -0.454 . . . . 25.0 112.313 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 62.88 -6.03 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.89 158.8 61.46 Favored Pre-proline 0 C--N 1.317 -0.841 0 C-N-CA 123.304 0.642 . . . . 25.0 110.081 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.77 -20.18 17.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 N-CA-C 114.746 1.018 . . . . 25.0 114.746 -176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -76.55 -33.15 58.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.28 73.07 Favored Glycine 0 C--O 1.207 -1.563 0 C-N-CA 120.701 -0.762 . . . . 25.0 112.628 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.54 -25.15 65.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.433 1.117 . . . . 25.0 110.802 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.93 -36.68 80.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.962 . . . . 25.0 109.922 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 792' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -61.32 -41.77 97.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 175.804 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.21 74.58 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 25.0 111.426 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -41.53 99.53 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 792' ' ' PHE . 14.8 mt -68.03 -42.31 85.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -26.98 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.128 0.489 . . . . 25.0 111.466 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -79.42 -30.9 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.053 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -88.45 -23.55 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.598 -0.689 . . . . 25.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.573 HG23 HG22 ' A' ' 807' ' ' VAL . 29.6 m -91.93 24.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 122.122 0.963 . . . . 25.0 109.413 176.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -120.71 62.75 10.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.665 -1.152 . . . . 25.0 109.47 168.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -69.62 -1.86 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 N-CA-C 114.557 0.945 . . . . 25.0 114.557 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.32 -1.3 14.29 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.846 -0.534 . . . . 25.0 109.625 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 55.63 41.78 30.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.177 0.991 . . . . 25.0 112.851 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.472 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.4 -7.19 16.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.866 178.136 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.07 65.25 Favored Glycine 0 N--CA 1.459 0.2 0 C-N-CA 121.137 -0.554 . . . . 25.0 113.801 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.472 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.44 152.13 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 -179.253 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.573 HG22 HG23 ' A' ' 799' ' ' VAL . 47.3 t -90.31 125.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -176.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.5 p -106.09 166.86 10.2 Favored 'General case' 0 C--O 1.204 -1.316 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.833 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.48 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -51.04 -42.69 60.64 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.42 -17.1 60.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.134 0.492 . . . . 25.0 110.447 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.77 -36.48 17.28 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.539 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.48 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.94 -32.74 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 25.0 110.548 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.86 -32.78 53.11 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 115.224 -0.898 . . . . 25.0 110.998 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.86 -41.86 71.33 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.326 -0.852 . . . . 25.0 110.966 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.23 -39.76 59.69 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.52 0.676 . . . . 25.0 110.503 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.457 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -58.85 -28.71 66.34 Favored 'General case' 0 C--O 1.202 -1.442 0 O-C-N 121.525 -0.734 . . . . 25.0 112.802 178.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.0 t -84.88 -18.82 33.58 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.373 -1.455 . . . . 25.0 110.394 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -74.24 -19.86 60.37 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.03 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.05 -20.72 1.51 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.64 1.576 . . . . 25.0 114.22 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 60.6 p -70.42 1.97 4.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -108.55 132.06 54.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.607 0.363 . . . . 25.0 110.293 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.33 145.42 53.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.071 -0.513 . . . . 25.0 111.797 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.05 175.96 9.33 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -84.99 -37.84 19.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.59 0.709 . . . . 25.0 110.567 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 1.2 p -65.65 -18.45 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.932 0.893 . . . . 25.0 109.894 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.49 -20.21 59.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.597 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.54 -36.45 71.64 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.75 0.786 . . . . 25.0 110.661 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.05 -41.18 77.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.607 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 826' ' ' ALA . 14.9 p -82.13 -33.37 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.388 -0.525 . . . . 25.0 110.295 -175.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 77.5 mtm -69.21 -16.69 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.818 -0.552 . . . . 25.0 110.784 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.47 66.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 832' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 835' ' ' ILE . 10.5 m -63.79 -22.04 66.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 178.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.14 -26.55 68.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.783 -0.573 . . . . 25.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.05 63.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 832' ' ' SER . 2.8 mp -68.19 -42.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.459 ' HB3' HD11 ' A' ' 843' ' ' ILE . 11.5 mt -62.66 -47.39 83.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 25.0 110.365 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.36 96.6 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.126 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.47 -83.47 1.33 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.077 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -111.48 -27.62 8.52 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 120.922 -1.34 . . . . 25.0 113.644 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 6.2 pttm -80.81 160.73 24.75 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.149 1.452 . . . . 25.0 109.683 -164.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -86.19 2.77 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 113.524 -1.671 . . . . 25.0 115.069 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -146.32 166.86 25.05 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 105.05 -2.204 . . . . 25.0 105.05 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 836' ' ' LEU . 5.4 tp -119.3 148.6 22.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 80.7 p -85.81 151.06 24.11 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -55.82 -32.41 63.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 25.0 110.451 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.57 -27.23 65.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.84 -36.87 64.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.743 0.306 . . . . 25.0 110.762 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.58 -38.02 83.46 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -76.31 10.61 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.292 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -105.9 -37.79 6.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -89.39 -29.49 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.682 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.54 91.16 33.05 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.68 -34.01 89.18 Favored 'Trans proline' 0 CA--C 1.575 2.534 0 N-CA-C 118.067 2.295 . . . . 25.0 118.067 164.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.26 -167.72 0.52 Allowed 'Trans proline' 0 C--N 1.364 1.375 0 N-CA-C 117.185 1.956 . . . . 25.0 117.185 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -50.19 -26.97 5.16 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.103 -1.408 . . . . 25.0 114.0 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.61 -31.53 64.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.457 -0.777 . . . . 25.0 112.37 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.47 -48.41 75.33 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 120.271 -0.571 . . . . 25.0 111.05 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -74.75 -31.34 61.77 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.873 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -51.61 65.63 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 170.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.11 -43.99 93.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.441 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.7 mt -58.77 -41.52 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.907 0.384 . . . . 25.0 110.492 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.52 93.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.632 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -82.3 -20.33 37.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.786 0.326 . . . . 25.0 111.531 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.539 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.1 ttm -74.22 152.05 39.83 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.513 0.56 . . . . 25.0 112.513 -175.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -68.06 131.57 92.2 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 120.276 -0.569 . . . . 25.0 110.441 -173.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.9 88.93 0.89 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.434 3.423 . . . . 25.0 114.813 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.875 0.845 . . . . 25.0 109.665 178.569 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.47 0 CA-C-O 119.43 -0.65 . . . . 25.0 111.816 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.76 140.14 47.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -141.92 149.14 39.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.784 -0.189 . . . . 25.0 110.684 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.07 108.81 18.44 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.105 -0.638 . . . . 25.0 111.59 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -65.97 -33.29 75.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.036 -0.984 . . . . 25.0 112.574 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -95.78 -24.68 16.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.5 t -100.14 14.41 30.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.198 0.523 . . . . 25.0 110.269 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.539 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 121.67 0.747 . . . . 25.0 110.752 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 743' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.3 OUTLIER -70.82 148.81 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.592 0.711 . . . . 25.0 111.554 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.9 t -92.91 159.18 15.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.79 -30.04 71.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 25.0 110.105 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.99 -36.42 36.01 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.495 -0.482 . . . . 25.0 109.893 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -61.34 -40.92 96.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 25.0 111.175 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.5 ptp -74.78 -21.01 59.56 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.99 -39.77 33.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.172 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.46 -36.69 52.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.844 -0.743 . . . . 25.0 109.305 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 61.2 t80 -73.32 -22.34 60.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -19.62 65.11 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.271 -0.893 . . . . 25.0 108.895 175.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.6 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 118.87 0.759 . . . . 25.0 110.555 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.1 t -64.62 -13.87 55.48 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.754 0.311 . . . . 25.0 110.688 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -21.5 44.3 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.976 1.102 . . . . 25.0 113.976 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 5.19 9.29 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 120.879 0.371 . . . . 25.0 111.105 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -77.15 -53.02 8.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.712 0.291 . . . . 25.0 111.521 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -104.07 3.67 33.48 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.468 -0.333 . . . . 25.0 111.896 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 17.4 t0 -56.02 104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.152 0.977 . . . . 50.0 112.784 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.434 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -54.41 -32.04 56.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.101 -1.409 . . . . 25.0 113.129 -173.564 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -122.19 1.11 9.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.752 -0.658 . . . . 75.0 111.857 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 79.1 m80 54.46 35.23 22.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 p -71.65 -9.44 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.577 0.751 . . . . 25.0 112.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.18 14.55 64.06 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.74 136.39 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.333 -0.933 . . . . 25.0 108.889 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -95.02 126.77 40.59 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.51 -166.52 38.74 Favored Glycine 0 C--O 1.198 -2.115 0 N-CA-C 109.194 -1.562 . . . . 25.0 109.194 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.26 -60.38 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 120.709 2.254 . . . . 25.0 114.223 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -14.53 63.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.807 0.813 . . . . 25.0 110.889 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.434 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 14.5 mt-10 -88.71 -44.76 10.34 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.469 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' A' ' 807' ' ' VAL . 30.5 t80 -59.49 -38.84 81.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.604 0.762 . . . . 25.0 111.565 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -22.9 67.08 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.334 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.61 20.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 121.111 0.481 . . . . 25.0 109.762 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.54 -44.15 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.161 0.981 . . . . 25.0 109.918 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 25.5 mt -63.69 -18.86 64.43 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 116.005 1.854 . . . . 25.0 116.005 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.4 -39.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.1 m -76.63 -5.91 49.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.778 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.41 -13.86 15.51 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 123.332 0.395 . . . . 25.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 84.35 51.54 3.88 Favored Glycine 0 C--O 1.225 -0.459 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.278 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.97 160.89 16.83 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 117.26 2.319 . . . . 25.0 117.26 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.51 11.37 24.29 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.775 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.13 -177.73 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.744 -174.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 102.23 133.32 8.01 Favored Glycine 0 C--O 1.222 -0.653 0 CA-C-N 116.02 -0.536 . . . . 25.0 114.249 170.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 61.16 13.49 4.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -123.91 143.95 43.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.95 -25.45 74.1 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 120.952 1.102 . . . . 25.0 113.977 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -87.25 -47.08 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.34 -33.9 87.62 Favored Glycine 0 C--O 1.206 -1.633 0 N-CA-C 115.011 0.764 . . . . 25.0 115.011 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.58 -23.95 66.27 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 118.97 1.385 . . . . 25.0 110.715 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.29 -38.34 30.96 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.64 -32.88 68.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.793 -0.64 . . . . 25.0 110.434 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -44.54 83.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.95 70.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.861 -0.335 . . . . 25.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.1 -38.63 91.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.11 -41.2 67.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.998 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -24.92 47.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 25.0 111.146 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.2 t -78.25 -28.47 47.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 25.0 112.169 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.1 pt -91.77 -23.56 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.756 -0.59 . . . . 25.0 112.163 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.459 HG23 HG22 ' A' ' 807' ' ' VAL . 33.3 m -92.19 24.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 122.174 0.988 . . . . 25.0 109.825 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -122.69 62.49 17.81 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.355 171.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.0 -9.81 26.89 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.647 0.98 . . . . 25.0 114.647 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -109.46 -1.33 18.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.678 0.275 . . . . 25.0 110.403 -175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 56.58 41.06 29.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.66 0.784 . . . . 25.0 112.638 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.47 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.71 -8.48 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.756 -1.111 . . . . 25.0 110.325 177.212 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.79 22.75 65.78 Favored Glycine 0 C--O 1.234 0.118 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.83 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -140.9 151.93 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.459 HG22 HG23 ' A' ' 799' ' ' VAL . 41.1 t -90.56 125.18 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 2.0 p -106.67 167.65 9.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.586 -0.733 . . . . 25.0 111.735 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.471 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -50.62 -43.08 56.83 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 177.648 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.05 -16.09 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 25.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -88.57 -36.14 16.51 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.262 0.553 . . . . 25.0 111.667 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.471 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 62.6 m-85 -59.24 -31.91 69.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.538 0.685 . . . . 25.0 110.59 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.6 mm -62.01 -31.96 52.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.388 -0.824 . . . . 25.0 110.657 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -54.43 -37.05 64.67 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.126 -0.943 . . . . 25.0 111.193 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.67 -41.85 23.04 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-O 120.737 0.303 . . . . 25.0 110.929 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.412 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.13 -30.18 59.25 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 2.1 t -79.15 -16.85 56.03 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.73 -1.231 . . . . 25.0 111.928 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -76.64 -21.45 55.45 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 116.224 -0.444 . . . . 25.0 110.384 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -52.06 -21.4 3.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.905 1.282 . . . . 25.0 113.055 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 75.9 p -70.26 -3.19 15.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.58 152.65 23.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.08 142.83 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.064 -0.516 . . . . 25.0 112.11 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.86 159.17 42.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 111.602 0.223 . . . . 25.0 111.602 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.61 -48.1 67.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.177 0.989 . . . . 25.0 110.602 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.3 p -65.59 -15.56 62.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.935 -1.029 . . . . 25.0 112.3 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -63.33 -21.01 66.0 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.59 -37.14 70.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.813 0.816 . . . . 25.0 110.683 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -68.57 -41.18 80.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.202 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 826' ' ' ALA . 14.2 p -81.13 -32.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.535 -0.466 . . . . 25.0 109.833 -174.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.5 mtm -70.25 -12.38 61.55 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.919 -0.488 . . . . 25.0 111.625 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.78 -22.5 62.24 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.043 -0.41 . . . . 25.0 110.04 173.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.7 p -59.8 -25.99 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -62.54 -26.7 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.394 0.543 . . . . 25.0 111.349 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -71.1 -33.91 70.6 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.593 -0.692 . . . . 25.0 109.754 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.76 -38.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.87 95.66 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.204 0.525 . . . . 25.0 110.089 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.27 85.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.071 0.938 . . . . 25.0 109.386 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.74 -83.64 1.35 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.562 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -114.98 -27.68 7.28 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.9 ptmt -69.68 151.07 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.016 0.436 . . . . 25.0 110.595 -172.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -84.96 1.09 48.96 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -147.47 161.13 41.7 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -113.06 149.88 15.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 105.841 -1.911 . . . . 25.0 105.841 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.5 p -90.05 154.43 19.81 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.02 -32.99 68.48 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 121.459 0.647 . . . . 25.0 109.416 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.14 -31.03 71.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 25.0 112.587 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.94 -38.31 64.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.099 -0.376 . . . . 25.0 110.587 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.87 -40.24 91.46 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.3 mtp-105 -76.26 16.16 0.49 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -118.39 -38.23 3.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -83.26 -26.63 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.58 91.45 41.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 122.65 0.38 . . . . 25.0 110.06 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -54.66 -33.54 80.06 Favored 'Trans proline' 0 CA--C 1.571 2.328 0 N-CA-C 117.518 2.084 . . . . 25.0 117.518 165.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -83.08 -169.85 0.8 Allowed 'Trans proline' 0 C--N 1.364 1.382 0 N-CA-C 117.222 1.97 . . . . 25.0 117.222 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.35 -23.46 3.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 113.863 -1.517 . . . . 25.0 113.645 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.96 -31.16 64.71 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.589 -0.694 . . . . 25.0 112.124 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.3 -48.16 82.64 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.244 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.52 -31.41 57.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -49.27 73.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 170.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.89 -42.65 90.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.451 -0.34 . . . . 25.0 110.917 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.9 mt -58.55 -41.6 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.051 0.453 . . . . 25.0 110.034 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.6 87.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.936 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -83.77 -15.22 49.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.92 0.391 . . . . 25.0 111.327 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.567 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.4 ttm -79.81 154.6 28.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.053 0.76 . . . . 25.0 113.053 -177.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.74 131.56 85.87 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.501 -0.479 . . . . 25.0 110.869 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.13 90.5 0.76 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 124.491 3.461 . . . . 25.0 114.477 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 121.61 0.719 . . . . 25.0 112.277 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.419 0 N-CA-C 110.142 -1.183 . . . . 25.0 110.142 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 140.57 47.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.02 149.97 40.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.706 -0.224 . . . . 25.0 111.01 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.65 110.49 21.37 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.025 -0.67 . . . . 25.0 111.525 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.42 -30.42 68.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.1 -0.954 . . . . 25.0 112.225 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -98.22 -20.17 17.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.7 t -105.36 16.76 25.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 1.7 p90 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 111.749 0.277 . . . . 25.0 111.749 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 142.27 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.662 0.744 . . . . 25.0 109.507 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 744' ' ' SER . . . . . 0.582 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 29.2 t -89.81 157.92 17.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -24.42 67.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.747 -0.66 . . . . 25.0 109.46 173.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.32 -35.7 23.09 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 747' ' ' GLN . . . . . 0.455 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 43.6 tp60 -62.87 -42.33 99.72 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 120.735 -0.386 . . . . 25.0 110.101 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.455 ' HE2' HG21 ' A' ' 813' ' ' ILE . 7.0 ptp -72.59 -21.07 61.19 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -40.51 35.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.7 -0.4 . . . . 25.0 110.88 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -78.96 -34.87 43.93 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.695 -0.802 . . . . 25.0 109.584 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -73.68 -21.7 60.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.487 -0.758 . . . . 25.0 112.585 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.15 -20.17 65.81 Favored 'General case' 0 C--O 1.203 -1.351 0 O-C-N 121.253 -0.905 . . . . 25.0 108.7 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.69 -21.3 62.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.832 0.742 . . . . 25.0 110.074 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -63.97 -14.24 52.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.78 0.324 . . . . 25.0 110.948 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -23.6 39.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.029 1.122 . . . . 25.0 114.029 171.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.19 -1.01 10.93 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -70.34 -56.34 6.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.071 0.463 . . . . 25.0 111.223 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.0 4.1 34.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 25.0 111.497 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 20.8 t0 -56.48 104.53 0.15 Allowed 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 122.303 1.049 . . . . 50.0 112.665 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.417 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 38.8 ttp180 -50.97 -40.4 57.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.064 -1.88 . . . . 25.0 113.133 -176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.39 5.91 11.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.752 -0.658 . . . . 50.0 110.893 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 57.78 34.62 24.64 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.878 0.847 . . . . 25.0 112.215 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.1 p -75.59 -8.5 56.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.311 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.35 13.92 67.24 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 108.913 -1.675 . . . . 25.0 108.913 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.6 p -154.5 136.35 14.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.022 -1.089 . . . . 25.0 108.221 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -94.45 127.11 40.15 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -79.31 -168.58 36.01 Favored Glycine 0 C--O 1.198 -2.136 0 N-CA-C 109.533 -1.427 . . . . 25.0 109.533 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.91 -57.63 0.5 Allowed 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-N 120.609 2.204 . . . . 25.0 113.663 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.14 -18.71 64.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.748 0.785 . . . . 25.0 110.493 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.417 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.3 mt-10 -88.3 -43.95 11.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.489 -0.778 . . . . 50.0 110.268 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.3 t80 -59.57 -40.5 87.56 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.269 0.628 . . . . 25.0 110.959 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -23.34 66.22 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.901 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.6 -33.7 21.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.59 -45.38 93.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.68 0.752 . . . . 25.0 109.48 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.36 -18.75 60.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 116.087 1.884 . . . . 25.0 116.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.85 -37.32 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.405 -0.961 . . . . 25.0 108.405 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 22.6 t -73.91 -6.92 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.496 -0.775 . . . . 25.0 112.224 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.15 -12.03 14.86 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.042 0.214 . . . . 25.0 110.975 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.5 43.14 8.67 Favored Glycine 0 C--O 1.221 -0.661 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.413 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.9 164.99 0.22 Allowed 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 118.401 2.741 . . . . 25.0 118.401 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -91.71 12.65 20.55 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.519 0.676 . . . . 25.0 111.593 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.14 168.63 23.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.515 -0.766 . . . . 25.0 110.431 -177.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.23 -164.4 11.83 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 109.898 -1.281 . . . . 25.0 109.898 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -87.75 15.09 7.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.39 165.23 45.67 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.94 -14.47 23.84 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.007 -2.196 . . . . 25.0 114.198 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -86.9 -46.6 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.07 -33.43 85.4 Favored Glycine 0 C--O 1.208 -1.484 0 C-N-CA 120.467 -0.873 . . . . 25.0 114.057 -175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -66.38 -26.27 67.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 118.555 1.177 . . . . 25.0 110.7 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.98 -40.23 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.499 -0.75 . . . . 25.0 109.161 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.28 -34.77 70.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.665 -0.698 . . . . 25.0 110.157 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -43.56 87.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.576 -0.449 . . . . 25.0 111.877 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -62.61 -40.23 96.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.232 -0.655 . . . . 25.0 109.232 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.99 -41.31 68.41 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -26.96 42.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.54 0.686 . . . . 25.0 110.646 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.8 t -77.3 -30.54 54.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.948 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.6 pt -90.66 -23.57 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.919 -0.488 . . . . 25.0 112.306 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.515 HG23 HG22 ' A' ' 807' ' ' VAL . 32.8 m -92.32 24.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 122.306 1.05 . . . . 25.0 109.922 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -121.56 61.14 11.46 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 114.648 -1.16 . . . . 25.0 109.305 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.51 -7.58 21.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 114.565 0.948 . . . . 25.0 114.565 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.51 -2.46 20.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 55.79 41.73 29.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.925 0.89 . . . . 25.0 113.305 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.445 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.97 -7.55 16.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.087 177.426 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.19 22.48 65.35 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.105 -0.569 . . . . 25.0 113.781 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.445 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.07 153.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 -179.531 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.515 HG22 HG23 ' A' ' 799' ' ' VAL . 47.7 t -94.29 125.56 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.3 p -105.56 167.73 9.56 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.631 -0.713 . . . . 25.0 111.814 -176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.455 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.2 -42.82 61.15 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 178.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.71 -16.95 60.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 25.0 110.556 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.33 -36.93 18.97 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 121.215 0.531 . . . . 25.0 111.366 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.455 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.7 m-85 -59.19 -34.24 71.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.441 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.455 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.9 mm -62.35 -31.65 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 CA-C-O 121.546 0.688 . . . . 25.0 110.371 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -49.43 -47.5 48.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.881 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -73.0 -42.35 63.36 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.812 0.339 . . . . 25.0 110.91 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -29.65 51.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -81.24 -19.75 42.48 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.634 -1.291 . . . . 25.0 110.762 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -73.27 -21.52 60.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.97 -17.27 2.41 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.957 1.303 . . . . 25.0 113.106 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.6 p -75.05 -0.94 20.62 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.67 146.65 30.51 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.567 0.347 . . . . 25.0 110.98 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.97 143.66 57.8 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.44 171.47 16.01 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.15 -37.35 22.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.408 0.623 . . . . 25.0 110.774 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -21.59 64.39 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.074 0.549 . . . . 25.0 110.382 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -65.9 -20.36 66.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.175 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.94 -34.88 73.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.826 0.822 . . . . 25.0 109.976 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.17 -40.99 86.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.807 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.52 -35.67 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 -175.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 39.6 ttp -69.71 -15.12 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 25.0 111.606 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.29 -19.4 8.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.593 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 94.7 p -52.04 -27.76 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -22.75 67.07 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.554 1.07 . . . . 25.0 112.856 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -36.67 43.65 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.42 -42.84 84.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.09 -45.07 95.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.99 81.88 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.758 0.789 . . . . 25.0 109.018 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.93 -98.02 1.8 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -173.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -124.37 2.5 8.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -69.41 151.08 46.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -80.19 1.4 28.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -151.03 160.49 43.89 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -110.4 149.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 61.3 p -87.99 150.68 23.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 105.528 -2.027 . . . . 25.0 105.528 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -54.96 -35.34 64.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.533 0.683 . . . . 25.0 109.693 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -71.83 -22.38 61.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.43 -37.02 77.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.963 -0.46 . . . . 25.0 109.821 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.77 -37.96 67.47 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -80.57 33.35 0.31 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.328 0.651 . . . . 25.0 110.586 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -121.46 -37.08 2.96 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 105.582 -2.007 . . . . 25.0 105.582 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.512 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 25.7 pt-20 -103.39 -17.77 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 113.948 -1.478 . . . . 25.0 108.762 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.512 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.1 mt -124.6 84.96 56.9 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.876 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -63.09 -22.22 73.18 Favored 'Trans proline' 0 CA--C 1.583 2.95 0 C-N-CA 114.144 -3.437 . . . . 25.0 118.466 164.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.582 ' HB3' ' H ' ' A' ' 744' ' ' SER . 35.0 Cg_endo -82.91 -166.42 0.38 Allowed 'Trans proline' 0 C--N 1.366 1.487 0 N-CA-C 116.802 1.808 . . . . 25.0 116.802 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.74 -32.22 13.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.182 -1.372 . . . . 25.0 114.659 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -55.34 -30.97 61.29 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.713 -0.221 . . . . 25.0 111.471 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 852' ' ' LEU . . . -66.45 -51.33 58.02 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.39 -0.819 . . . . 25.0 111.554 174.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.92 -34.84 77.4 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.499 -0.48 . . . . 25.0 110.944 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -51.99 66.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.585 174.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.5 m -62.75 -44.11 97.06 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-O 120.489 0.185 . . . . 25.0 110.821 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 32.1 mt -61.4 -41.7 90.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 122.804 0.442 . . . . 25.0 111.142 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.45 86.86 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.901 -0.59 . . . . 25.0 111.356 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -10.18 58.92 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.607 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 0.3 OUTLIER -74.31 153.31 39.4 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.642 -0.661 . . . . 25.0 112.535 -178.423 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.686 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -72.52 137.32 80.7 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.028 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.99 91.77 1.17 Allowed 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 124.81 3.673 . . . . 25.0 115.328 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.496 0.665 . . . . 25.0 109.702 177.674 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 119.231 -0.76 . . . . 25.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.85 138.35 49.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.95 152.56 43.61 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.721 0.267 . . . . 25.0 111.721 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.686 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 26.7 t0 -89.11 107.72 19.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.42 0.628 . . . . 25.0 110.243 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.8 -32.89 70.12 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.926 -1.034 . . . . 25.0 112.0 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -91.45 -26.55 18.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -103.09 17.22 24.59 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.183 0.516 . . . . 25.0 110.499 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.517 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.4 p90 . . . . . 0 C--N 1.324 -0.522 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 117.712 2.486 . . . . 25.0 117.712 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.34 147.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 121.269 -0.894 . . . . 25.0 110.893 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 76.6 p -97.35 164.65 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.223 0.535 . . . . 25.0 109.867 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -27.37 68.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.144 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.15 -34.92 23.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.827 -0.349 . . . . 25.0 110.298 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.68 -41.08 94.37 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.67 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.427 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.1 ptp -73.17 -21.18 60.74 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.084 -0.646 . . . . 25.0 109.273 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -30.21 24.81 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.629 -0.428 . . . . 25.0 111.579 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.0 -38.11 23.07 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.571 -0.851 . . . . 25.0 108.956 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 66.9 t80 -72.42 -22.42 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -19.56 63.49 Favored 'General case' 0 C--O 1.197 -1.673 0 O-C-N 121.361 -0.837 . . . . 25.0 109.248 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.79 63.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.361 0.982 . . . . 25.0 110.719 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -13.7 57.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.925 -0.485 . . . . 25.0 110.613 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -23.62 50.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -111.25 -14.93 13.74 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.934 0.346 . . . . 25.0 111.934 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -67.49 -49.25 64.37 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.507 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 11.3 m-85 -104.13 1.2 30.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.529 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 18.3 t0 -56.17 104.46 0.14 Allowed 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.525 1.155 . . . . 50.0 112.269 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 29.7 ttp180 -51.33 -42.37 61.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.483 -1.69 . . . . 25.0 112.242 -175.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.59 5.69 11.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.153 -0.931 . . . . 50.0 111.254 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 67.9 m80 56.0 34.37 23.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.0 p -70.75 -10.82 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.06 15.35 62.88 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 108.159 -1.976 . . . . 25.0 108.159 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.58 136.4 14.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.004 -1.098 . . . . 25.0 108.292 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -93.8 127.45 39.55 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.427 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.35 -168.48 33.26 Favored Glycine 0 C--O 1.203 -1.81 0 N-CA-C 109.793 -1.323 . . . . 25.0 109.793 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -62.94 -55.78 0.73 Allowed 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 120.31 2.055 . . . . 25.0 113.964 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.61 -16.83 61.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 25.0 110.331 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.433 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.7 mt-10 -86.39 -45.06 11.53 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.587 -0.733 . . . . 50.0 110.085 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.46 ' CG ' HG21 ' A' ' 807' ' ' VAL . 26.9 t80 -58.82 -41.78 87.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 123.365 0.666 . . . . 25.0 111.041 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -24.13 67.44 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.63 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.38 23.98 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.39 -46.36 88.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.032 0.92 . . . . 25.0 109.501 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 20.3 mt -59.97 -18.87 48.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 -178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.14 -38.42 80.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -74.24 -8.82 57.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.615 . . . . 25.0 112.32 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.52 -17.35 15.23 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.125 0.266 . . . . 25.0 110.353 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.34 53.0 3.06 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 118.895 -1.621 . . . . 25.0 110.505 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.401 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -61.75 164.67 5.94 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 116.752 2.131 . . . . 25.0 116.752 178.457 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -92.94 12.29 24.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.536 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.51 169.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.139 -177.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.34 -170.67 16.47 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.152 -1.979 . . . . 25.0 108.152 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 24.16 2.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.589 0.694 . . . . 25.0 110.461 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.48 166.92 25.23 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.78 -14.49 24.25 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 115.501 -2.532 . . . . 25.0 113.966 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -87.09 -46.08 10.12 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.74 92.5 Favored Glycine 0 C--O 1.207 -1.535 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.352 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.89 -25.48 66.41 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.116 0.958 . . . . 25.0 110.748 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.35 31.24 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.412 -0.805 . . . . 25.0 109.087 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 792' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -62.3 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 175.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.13 71.55 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.922 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -61.46 -43.53 98.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.5 mt -69.99 -41.51 79.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 108.898 -0.778 . . . . 25.0 108.898 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -27.78 36.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 25.0 110.74 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 10.2 t -78.2 -29.79 48.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.025 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.1 pt -90.19 -23.42 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 122.027 -0.421 . . . . 25.0 111.698 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.548 HG23 HG22 ' A' ' 807' ' ' VAL . 29.4 m -92.8 23.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 122.279 1.037 . . . . 25.0 109.672 177.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -122.6 57.95 10.21 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 114.44 -1.255 . . . . 25.0 108.83 170.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.93 -5.59 17.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 117.367 -1.288 . . . . 25.0 114.39 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -104.28 -3.15 24.62 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 56.18 41.57 29.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.984 0.914 . . . . 25.0 113.274 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.03 -8.4 16.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.598 -1.183 . . . . 25.0 110.659 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.2 23.13 63.95 Favored Glycine 0 N--CA 1.458 0.151 0 C-N-CA 121.185 -0.531 . . . . 25.0 113.845 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.414 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.34 154.92 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -178.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 799' ' ' VAL . 47.2 t -96.27 124.15 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.862 -0.422 . . . . 25.0 109.862 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.96 169.37 8.59 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.471 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.61 -43.57 46.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 179.27 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -16.94 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.194 0.521 . . . . 25.0 110.684 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.07 -37.57 17.31 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.617 -0.719 . . . . 25.0 111.31 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.457 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 63.2 m-85 -58.96 -33.21 70.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.601 . . . . 25.0 111.454 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.427 HG21 ' HE2' ' A' ' 748' ' ' MET . 10.3 mm -62.08 -31.99 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.808 0.813 . . . . 25.0 110.466 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -51.11 -43.7 61.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.836 -1.075 . . . . 25.0 110.997 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.78 -43.66 45.31 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.868 0.366 . . . . 25.0 110.614 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.8 -30.83 46.66 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 13.9 t -78.35 -19.74 52.8 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.313 -1.492 . . . . 25.0 111.108 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.93 -21.45 51.08 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.47 -10.43 0.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.463 1.505 . . . . 25.0 113.399 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.9 p -73.99 -3.36 28.73 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.784 -0.573 . . . . 25.0 112.118 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -107.27 159.04 16.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.136 0.574 . . . . 25.0 110.823 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.12 152.23 39.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.991 -0.55 . . . . 25.0 111.308 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 164.25 30.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.49 -46.99 71.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.484 1.135 . . . . 25.0 110.094 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 12.4 p -64.16 -18.45 64.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.368 -1.287 . . . . 25.0 112.614 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.419 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.66 -20.53 48.93 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -175.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.72 -37.09 70.46 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.847 0.832 . . . . 25.0 110.293 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.92 -40.87 78.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.135 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.0 p -78.78 -30.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.234 -0.586 . . . . 25.0 109.784 -175.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 62.4 mtt -64.93 -18.15 64.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.808 -0.558 . . . . 25.0 111.774 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.7 63.6 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.876 -0.515 . . . . 25.0 110.919 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 98.4 p -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.31 -26.07 68.22 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.924 -0.485 . . . . 25.0 111.301 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.717 -0.615 . . . . 25.0 109.382 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.6 -40.13 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.17 96.97 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.674 -0.694 . . . . 25.0 111.534 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.36 71.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 25.0 109.577 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.03 -83.38 1.38 Allowed Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.048 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.01 -27.98 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.451 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 14.6 ptmt -71.92 152.23 42.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 25.0 110.744 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -82.48 -6.67 59.45 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.091 -0.504 . . . . 25.0 112.252 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.439 ' CD2' ' HB1' ' A' ' 876' ' ' ALA . 36.9 p90 -138.26 162.8 33.39 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -115.51 149.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 105.492 -2.04 . . . . 25.0 105.492 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.5 p -88.87 156.76 18.73 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.7 mtt -58.7 -32.33 69.06 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.87 -34.5 77.94 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.341 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -43.25 91.9 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.91 -39.26 90.41 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.71 8.08 3.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -109.57 -37.75 5.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -82.12 -29.16 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 89.28 47.25 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 122.597 0.359 . . . . 25.0 111.559 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -54.15 -35.44 82.33 Favored 'Trans proline' 0 CA--C 1.575 2.562 0 N-CA-C 117.453 2.059 . . . . 25.0 117.453 164.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.07 -169.94 0.9 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 N-CA-C 116.542 1.708 . . . . 25.0 116.542 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -59.75 -16.42 27.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -58.65 -26.21 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.746 -0.596 . . . . 25.0 109.97 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.94 -48.81 67.45 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.453 -0.78 . . . . 25.0 111.525 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.87 -32.98 70.14 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -52.62 63.42 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.528 -0.76 . . . . 25.0 109.0 172.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.39 -43.01 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.385 -0.126 . . . . 25.0 110.753 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 51.4 mt -58.22 -40.58 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.2 0.524 . . . . 25.0 110.406 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.42 63.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -110.43 -2.41 16.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.984 0.421 . . . . 25.0 109.993 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.504 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -86.44 155.07 20.7 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.119 -0.363 . . . . 25.0 111.596 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -77.91 142.17 64.55 Favored Pre-proline 0 C--O 1.22 -0.5 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.873 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.6 93.34 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.954 3.102 . . . . 25.0 114.777 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 175.825 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.52 0 N-CA-C 110.719 -0.952 . . . . 25.0 110.719 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 876' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 842' ' ' TYR . . . -112.75 142.72 45.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -142.03 147.07 36.26 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.125 0.17 . . . . 25.0 110.779 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 28.0 t0 -85.71 108.02 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.294 0.568 . . . . 25.0 110.419 177.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.972 -1.013 . . . . 25.0 111.828 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.24 -29.01 19.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -102.89 20.32 17.68 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.152 0.501 . . . . 25.0 109.931 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.504 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.0 p90 . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.235 0.334 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.4 149.77 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.287 0.565 . . . . 25.0 110.807 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 59.7 p -97.45 168.22 10.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.964 0.411 . . . . 25.0 110.166 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -67.72 -27.87 67.17 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.153 0.501 . . . . 25.0 109.898 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -80.8 -39.83 26.07 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.797 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.88 -40.43 92.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.5 -20.97 59.79 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -31.9 25.84 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.801 -0.36 . . . . 25.0 111.579 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.5 -37.48 21.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.78 -0.768 . . . . 25.0 109.24 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 49.9 t80 -71.76 -21.94 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -19.53 63.11 Favored 'General case' 0 C--O 1.2 -1.516 0 O-C-N 121.175 -0.953 . . . . 25.0 109.0 174.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.01 64.27 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.825 0.739 . . . . 25.0 110.803 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -15.85 58.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 25.0 111.009 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -23.64 43.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.449 1.277 . . . . 25.0 114.449 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.31 -4.06 11.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.766 0.317 . . . . 25.0 111.427 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -69.66 -55.33 10.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.855 0.359 . . . . 25.0 111.834 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.402 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.6 m-85 -102.59 2.72 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.429 -0.35 . . . . 25.0 111.389 -177.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 21.4 t0 -56.11 104.43 0.14 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.136 0.969 . . . . 50.0 113.035 -177.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.473 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 43.8 ttp180 -49.09 -43.73 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.221 -1.809 . . . . 25.0 113.131 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.65 4.68 13.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.321 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 58.3 34.5 24.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.018 0.913 . . . . 25.0 111.752 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.5 p -74.63 -7.69 54.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.77 . . . . 25.0 112.078 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.08 67.55 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 108.947 -1.661 . . . . 25.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -154.48 136.39 14.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.034 -1.083 . . . . 25.0 108.233 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -91.43 126.83 36.64 Favored 'General case' 0 C--O 1.202 -1.412 0 O-C-N 120.941 -1.099 . . . . 25.0 108.33 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.463 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.44 -169.06 34.62 Favored Glycine 0 C--O 1.199 -2.079 0 N-CA-C 110.188 -1.165 . . . . 25.0 110.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -62.32 -57.52 0.47 Allowed 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 120.359 2.08 . . . . 25.0 113.751 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.52 -17.39 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.632 0.73 . . . . 25.0 110.091 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.473 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 9.7 mt-10 -87.93 -44.8 10.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.777 -0.647 . . . . 50.0 110.399 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.464 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.4 t80 -60.04 -39.74 86.96 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.329 0.652 . . . . 25.0 110.904 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -23.93 66.75 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.857 -0.611 . . . . 25.0 110.056 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -35.16 21.33 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.985 0.898 . . . . 25.0 109.248 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.04 -18.7 59.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.885 1.809 . . . . 25.0 115.885 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.42 -40.76 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.2 m -79.28 -5.78 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.698 -0.683 . . . . 25.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.427 HD12 ' CE ' ' A' ' 816' ' ' MET . 4.1 mm? -104.37 -1.0 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.271 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.94 31.31 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 118.923 -1.608 . . . . 25.0 112.648 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -57.34 164.34 1.87 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 121.537 3.903 . . . . 25.0 121.537 -175.633 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 781' ' ' ASP . . . . . 0.586 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.2 t70 -76.48 -0.01 21.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.08 2.552 . . . . 25.0 111.617 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.77 177.47 5.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.194 -171.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.58 -172.65 24.13 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 104.897 -3.281 . . . . 25.0 104.897 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.56 19.91 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.342 1.071 . . . . 25.0 111.094 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -68.52 149.03 98.13 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.77 -25.87 81.95 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 N-CA-C 113.615 0.583 . . . . 25.0 113.615 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -81.89 -43.16 18.54 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.276 -1.009 . . . . 25.0 108.276 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.63 87.76 Favored Glycine 0 C--O 1.207 -1.578 0 C-N-CA 120.829 -0.701 . . . . 25.0 113.68 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.99 -25.18 64.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.497 1.148 . . . . 25.0 110.636 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -73.96 -31.24 62.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 25.0 110.506 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -42.11 97.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 172.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.16 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -58.24 -37.43 74.89 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.2 -41.77 23.13 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 O-C-N 122.056 -0.402 . . . . 25.0 110.04 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -26.1 39.27 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.565 0.698 . . . . 25.0 110.826 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 25.5 t -76.47 -31.69 57.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.709 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 17.1 pt -92.36 -23.65 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.709 0.633 . . . . 25.0 112.709 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 807' ' ' VAL . 31.3 m -91.87 24.27 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 122.32 1.057 . . . . 25.0 109.728 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -121.16 57.48 6.53 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.616 -1.174 . . . . 25.0 109.347 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.03 -7.82 22.25 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 117.458 -1.228 . . . . 25.0 112.907 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -97.42 -9.6 27.0 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 122.53 1.157 . . . . 25.0 110.494 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 53.65 44.69 29.37 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 112.011 -2.359 . . . . 25.0 113.251 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.21 -8.34 13.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.3 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.69 62.22 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.114 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.43 156.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.497 HG22 HG23 ' A' ' 799' ' ' VAL . 48.7 t -96.62 123.75 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.949 0.404 . . . . 25.0 109.926 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 7.4 p -102.11 170.12 8.31 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.933 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -51.34 -44.08 61.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 176.38 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -16.02 60.44 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.261 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.4 -36.4 20.7 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.071 0.462 . . . . 25.0 111.485 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.466 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 66.9 m-85 -59.58 -33.5 71.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.184 0.516 . . . . 25.0 111.935 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -62.9 -31.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.573 0.701 . . . . 25.0 110.402 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -51.89 -40.52 60.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.309 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.586 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.1 t80 -78.22 -43.85 27.27 Favored 'General case' 0 C--O 1.208 -1.094 0 O-C-N 121.82 -0.55 . . . . 25.0 110.112 174.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.427 ' CE ' HD12 ' A' ' 778' ' ' LEU . 1.5 tpt -61.0 -21.75 63.86 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 116.258 1.947 . . . . 25.0 116.258 -176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -80.02 -19.6 47.34 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 120.681 -1.262 . . . . 25.0 109.141 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -77.46 -19.79 55.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.614 -0.721 . . . . 25.0 110.444 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.58 -20.38 2.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 121.827 0.822 . . . . 25.0 111.591 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 77.9 p -66.46 3.42 0.97 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.354 1.242 . . . . 25.0 114.354 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -123.7 150.48 44.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.327 0.651 . . . . 25.0 110.057 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.65 148.35 33.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.609 1.337 . . . . 25.0 114.609 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 172.57 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.776 -1.564 . . . . 25.0 106.776 171.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -76.09 -35.06 59.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.785 0.802 . . . . 25.0 109.594 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -21.75 62.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.52 -0.764 . . . . 25.0 111.147 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.84 -21.95 65.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.606 -0.27 . . . . 25.0 111.152 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.16 -33.27 71.95 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.736 0.779 . . . . 25.0 109.962 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -68.86 -37.81 79.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.915 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.22 -37.58 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 -174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -78.08 -0.87 29.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.04 0.448 . . . . 25.0 111.363 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.25 3.94 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.391 0.676 . . . . 25.0 111.528 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 79.9 p -50.23 -28.6 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -22.78 67.08 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.503 1.047 . . . . 25.0 112.843 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -40.1 58.07 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.975 -1.078 . . . . 25.0 108.385 175.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -66.85 -42.97 89.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.18 -45.52 93.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.494 -0.321 . . . . 25.0 111.859 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.93 71.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.76 0.79 . . . . 25.0 109.407 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.05 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.216 -0.754 . . . . 25.0 111.216 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -114.79 -3.21 12.81 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.127 0.463 . . . . 25.0 112.23 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -86.46 152.7 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.369 -0.974 . . . . 25.0 108.369 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -88.06 0.66 55.7 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.91 1.078 . . . . 25.0 113.91 -174.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -146.59 159.92 42.83 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.304 -2.109 . . . . 25.0 105.304 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.4 tp -110.43 148.5 13.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -86.67 151.2 23.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.704 -1.961 . . . . 25.0 105.704 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -56.06 -33.2 64.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.085 0.469 . . . . 25.0 109.849 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.87 -34.08 77.13 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.749 -0.66 . . . . 25.0 112.708 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.16 -38.12 78.58 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.142 -0.349 . . . . 25.0 110.849 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.7 -39.87 80.29 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 121.938 0.875 . . . . 25.0 108.802 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -80.72 31.87 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.256 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -128.24 -34.65 2.06 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.502 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -101.13 -18.24 16.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.238 -1.346 . . . . 25.0 109.021 177.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.502 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 11.7 mt -118.25 82.71 18.85 Favored Pre-proline 0 N--CA 1.467 0.418 0 CA-C-O 120.838 0.351 . . . . 25.0 111.758 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.64 -33.43 79.36 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 117.336 2.014 . . . . 25.0 117.336 166.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.46 -171.98 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 N-CA-C 116.633 1.743 . . . . 25.0 116.633 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -16.71 17.49 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -56.29 -29.72 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.078 -0.389 . . . . 25.0 110.541 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.19 -50.0 72.02 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.972 -0.455 . . . . 25.0 110.908 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.32 -32.35 64.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 120.365 -0.534 . . . . 25.0 111.237 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -52.42 63.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.463 -0.79 . . . . 25.0 109.351 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.93 -43.88 97.59 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 110.172 -0.307 . . . . 25.0 110.172 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 46.1 mt -59.32 -39.61 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 25.0 110.758 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.21 64.77 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.05 -7.76 17.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.311 0.577 . . . . 25.0 110.554 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.1 ttm -79.79 150.4 30.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.867 -0.52 . . . . 25.0 110.246 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.49 130.4 94.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.058 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.71 88.76 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.616 2.21 . . . . 25.0 114.295 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 178.387 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.428 0 N-CA-C 109.293 -1.523 . . . . 25.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 139.25 48.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -141.96 144.51 33.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -85.0 109.52 18.25 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.719 -0.792 . . . . 25.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -69.17 -37.2 78.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.687 -1.142 . . . . 25.0 111.039 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.25 -26.11 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.342 0.867 . . . . 25.0 113.342 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -102.49 19.05 19.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.866 0.365 . . . . 25.0 110.49 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.6 p90 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 115.426 1.639 . . . . 25.0 115.426 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.235 0.332 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.58 144.17 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.512 0.673 . . . . 25.0 110.172 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 744' ' ' SER . . . . . 0.423 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 59.5 p -97.58 166.86 11.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.455 -177.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -67.47 -25.05 65.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.812 176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -82.16 -39.45 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.572 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 747' ' ' GLN . . . . . 0.434 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.8 tp60 -59.47 -42.39 91.93 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.011 0.434 . . . . 25.0 110.152 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.5 ptp -73.16 -21.04 60.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -42.61 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.52 -35.44 40.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.199 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 42.7 t80 -70.49 -22.12 62.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -21.66 61.25 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 120.928 -1.108 . . . . 25.0 108.728 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.11 -22.85 67.14 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.993 0.815 . . . . 25.0 111.43 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -17.2 56.36 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.057 -0.402 . . . . 25.0 111.362 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -23.68 45.86 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.58 -8.87 10.37 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 178.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.46 -51.91 45.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.062 0.458 . . . . 25.0 112.19 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.473 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.2 m-85 -104.05 2.15 31.82 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.354 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 22.1 t0 -56.99 104.44 0.16 Allowed 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.947 0.879 . . . . 50.0 111.783 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.513 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 60.3 mtt180 -58.5 -33.8 70.22 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.418 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -115.59 -2.39 12.51 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.638 0.586 . . . . 75.0 110.805 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 62.73 30.41 16.8 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.406 1.632 . . . . 25.0 115.406 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 56.6 p -69.54 -11.06 60.53 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.85 61.7 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.755 -1.738 . . . . 25.0 108.755 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.5 136.32 14.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.959 -1.12 . . . . 25.0 108.474 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.89 125.55 41.4 Favored 'General case' 0 C--O 1.195 -1.774 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.93 -167.64 35.66 Favored Glycine 0 C--O 1.196 -2.221 0 N-CA-C 108.917 -1.673 . . . . 25.0 108.917 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -60.67 -60.54 0.25 Allowed 'Trans proline' 0 CA--C 1.534 0.516 0 CA-C-N 120.829 2.314 . . . . 25.0 114.254 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -16.82 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.581 0.705 . . . . 25.0 110.686 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.513 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 13.6 mt-10 -85.37 -45.69 11.66 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.346 -0.612 . . . . 50.0 109.346 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.461 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.2 t80 -58.67 -42.17 87.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.843 0.857 . . . . 25.0 111.465 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -23.04 67.19 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.621 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.53 -34.5 21.51 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 45.5 t -62.95 -45.6 91.72 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.116 0.96 . . . . 25.0 109.798 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.77 -18.74 45.67 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.764 1.764 . . . . 25.0 115.764 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.55 -40.26 85.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 57.5 m -79.75 -3.34 47.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.744 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.41 -3.85 17.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.405 -0.361 . . . . 25.0 110.642 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 779' ' ' GLY . . . . . 0.461 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 79.21 47.09 7.73 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 118.598 -1.763 . . . . 25.0 113.105 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.13 159.58 17.14 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 118.409 2.744 . . . . 25.0 118.409 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -86.99 7.83 25.89 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.832 0.825 . . . . 25.0 111.04 -175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.78 -179.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.211 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -171.74 -162.7 24.44 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.704 -2.158 . . . . 25.0 107.704 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.09 6.79 5.84 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.26 143.89 98.5 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.62 -22.71 74.26 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 120.536 0.824 . . . . 25.0 113.968 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.0 -39.17 18.37 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.02 -34.31 89.63 Favored Glycine 0 C--O 1.206 -1.596 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.506 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.55 -27.22 68.28 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.003 0.901 . . . . 25.0 110.942 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.08 -40.09 47.35 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.431 -0.793 . . . . 25.0 109.229 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.16 -33.1 69.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.625 . . . . 25.0 109.588 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.09 99.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.39 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.634 -0.426 . . . . 25.0 111.788 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -60.44 -43.53 96.72 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.2 mt -70.87 -41.46 77.23 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.09 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 25.0 110.96 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.2 t -77.67 -34.35 53.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.103 -0.498 . . . . 25.0 111.89 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.0 pt -83.93 -24.69 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 121.706 -0.621 . . . . 25.0 110.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 807' ' ' VAL . 24.6 m -93.39 21.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 122.451 1.119 . . . . 25.0 109.38 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -122.76 64.33 22.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.231 -1.349 . . . . 25.0 107.888 167.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 -6.53 19.12 Favored 'Trans proline' 0 C--N 1.348 0.542 0 N-CA-C 114.391 0.881 . . . . 25.0 114.391 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.13 -1.82 16.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.71 40.91 28.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 25.0 112.919 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.37 -6.8 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.147 -0.933 . . . . 25.0 110.894 177.5 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.8 20.06 69.11 Favored Glycine 0 N--CA 1.458 0.144 0 C-N-CA 121.229 -0.51 . . . . 25.0 113.857 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -140.06 151.82 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.591 HG22 HG23 ' A' ' 799' ' ' VAL . 53.3 t -91.89 125.6 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -176.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.4 p -104.8 166.75 10.18 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.778 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.479 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.38 -41.65 60.83 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 177.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.21 -17.24 60.39 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.546 -0.462 . . . . 25.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.04 -36.56 18.12 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.249 0.547 . . . . 25.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.479 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.56 -33.85 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.462 0.649 . . . . 25.0 110.896 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.8 mm -60.52 -32.36 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 115.103 -0.953 . . . . 25.0 110.618 -175.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.8 -49.56 62.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.591 -0.731 . . . . 25.0 110.52 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -69.09 -41.33 77.63 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 121.134 0.493 . . . . 25.0 110.534 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.29 -22.55 66.12 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 30.5 t -82.1 -19.71 39.6 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.136 -0.977 . . . . 25.0 109.07 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -20.02 57.81 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.169 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.83 -21.76 4.59 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 122.002 0.906 . . . . 25.0 111.52 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 69.1 p -67.19 2.42 1.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -118.82 141.13 48.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.099 0.56 . . . . 25.0 110.507 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.23 140.47 57.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.5 m -150.4 156.72 42.03 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.48 -47.87 78.32 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.057 0.932 . . . . 25.0 112.177 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 825' ' ' THR . . . . . 0.461 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 1.4 p -75.6 -21.58 57.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.537 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.31 -25.55 64.28 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.611 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.33 -33.17 69.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.836 0.827 . . . . 25.0 110.145 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -70.75 -37.6 73.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.8 p -76.65 -31.65 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.86 -9.61 46.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.75 -16.36 4.26 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.731 0.412 . . . . 25.0 111.771 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 89.9 p -50.23 -28.77 8.15 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -22.14 66.64 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.159 -0.963 . . . . 25.0 113.25 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -38.36 53.87 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.06 -41.88 90.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.06 -47.44 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.4 90.23 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.34 -85.87 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.887 -0.673 . . . . 25.0 111.922 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -115.01 -19.98 10.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.389 0.885 . . . . 25.0 113.389 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -74.57 154.0 38.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.387 0.613 . . . . 25.0 110.401 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -88.01 1.87 53.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -147.63 160.06 43.08 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.9 tp -111.64 149.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.6 p -88.46 150.22 23.25 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 65.5 mtt -55.69 -33.28 64.03 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 110.134 -0.321 . . . . 25.0 110.134 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -21.49 59.17 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 -176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.3 -40.01 67.86 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.66 -38.99 92.88 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -80.81 28.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 123.125 0.57 . . . . 25.0 111.377 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -125.82 -39.08 2.15 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.984 -1.487 . . . . 25.0 106.984 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.543 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.4 pt-20 -89.94 -24.11 21.39 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 174.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.543 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.1 mt -122.07 81.04 43.42 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.92 -0.582 . . . . 25.0 111.339 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.07 -23.75 62.46 Favored 'Trans proline' 0 CA--C 1.583 2.959 0 C-N-CA 114.983 -2.878 . . . . 25.0 118.862 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.485 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 32.9 Cg_endo -84.65 -165.1 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.561 0 N-CA-C 117.306 2.002 . . . . 25.0 117.306 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -51.19 -29.49 14.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.249 -1.342 . . . . 25.0 113.934 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -57.63 -31.46 66.28 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.569 -0.452 . . . . 25.0 111.936 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -65.8 -46.78 77.38 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.261 -0.899 . . . . 25.0 111.108 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.52 -34.48 74.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.191 -0.604 . . . . 25.0 111.097 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -51.29 69.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.636 . . . . 25.0 109.393 173.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.82 -45.33 93.1 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.371 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 43.9 mt -59.83 -40.72 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 122.506 0.323 . . . . 25.0 110.435 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.52 76.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -8.67 35.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.514 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.4 ttm -79.2 152.92 30.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.506 -0.746 . . . . 25.0 112.007 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.02 134.51 89.68 Favored Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 120.083 -0.647 . . . . 25.0 109.984 -173.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.07 89.57 1.16 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 124.088 3.192 . . . . 25.0 114.462 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 121.764 0.792 . . . . 25.0 109.379 178.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.617 0 N-CA-C 111.115 -0.794 . . . . 25.0 111.115 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.8 140.49 47.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.9 mt -141.98 153.68 44.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.204 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 23.6 t0 -92.05 108.85 20.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.435 0.636 . . . . 25.0 110.517 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.778 -1.101 . . . . 25.0 111.748 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -92.22 -25.25 18.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.709 1.004 . . . . 25.0 113.709 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 14.2 t -102.75 18.22 21.94 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.514 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 2.9 p90 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 743' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.1 OUTLIER -60.41 151.75 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.752 0.787 . . . . 25.0 111.787 176.356 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.7 t -97.42 159.01 15.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.737 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.582 . . . . 25.0 109.845 174.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.43 -36.23 29.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.78 -0.368 . . . . 25.0 110.188 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 747' ' ' GLN . . . . . 0.453 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.9 tp60 -62.23 -41.26 98.25 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.881 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.433 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.2 ptp -72.83 -21.55 60.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -41.16 33.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.577 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.85 -36.15 50.28 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.937 -0.705 . . . . 25.0 109.824 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -72.74 -21.47 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.099 0.777 . . . . 25.0 113.099 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.67 -19.58 63.98 Favored 'General case' 0 C--O 1.2 -1.522 0 O-C-N 121.211 -0.931 . . . . 25.0 109.077 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.49 -20.62 63.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.949 0.795 . . . . 25.0 110.806 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 6.6 t -64.71 -13.11 53.19 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.929 -0.482 . . . . 25.0 110.806 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -23.16 55.95 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.103 1.149 . . . . 25.0 114.103 171.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.19 -10.38 13.86 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.625 0.25 . . . . 25.0 111.551 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -63.77 -58.05 8.04 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.13 6.13 35.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.611 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 33.4 t0 -59.7 104.54 0.29 Allowed 'General case' 0 CA--C 1.495 -1.168 0 CA-C-O 122.001 0.905 . . . . 75.0 111.432 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.489 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 44.0 mtt180 -55.19 -34.86 64.23 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 112.965 -1.925 . . . . 25.0 113.747 -174.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.45 3.48 13.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.628 -0.715 . . . . 50.0 110.828 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 57.79 33.53 23.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.141 1.534 . . . . 25.0 115.141 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 -18.14 60.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.59 18.19 45.94 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 109.766 -1.333 . . . . 25.0 109.766 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.5 p -154.48 135.74 14.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.97 126.88 42.43 Favored 'General case' 0 C--O 1.201 -1.484 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.21 -170.22 38.77 Favored Glycine 0 C--O 1.193 -2.434 0 N-CA-C 109.101 -1.6 . . . . 25.0 109.101 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -60.95 -58.44 0.46 Allowed 'Trans proline' 0 C--N 1.327 -0.572 0 CA-C-N 120.946 2.373 . . . . 25.0 113.685 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.55 -16.89 64.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.468 0.652 . . . . 25.0 111.074 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.489 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 11.3 mt-10 -87.57 -44.46 11.23 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 120.374 -0.531 . . . . 50.0 110.823 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.456 ' CG ' HG21 ' A' ' 807' ' ' VAL . 30.2 t80 -59.45 -39.24 82.98 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 123.708 0.803 . . . . 25.0 110.985 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -22.15 66.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.163 -0.471 . . . . 25.0 110.746 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.74 -35.89 20.51 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.37 -44.76 95.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.915 0.864 . . . . 25.0 110.062 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 19.8 mt -61.79 -18.8 61.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.845 1.795 . . . . 25.0 115.845 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.2 -36.77 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 26.2 t -73.51 -9.07 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.209 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.18 -10.39 14.98 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.052 0.22 . . . . 25.0 111.28 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.23 54.53 3.52 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 118.862 -1.637 . . . . 25.0 111.847 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -64.56 159.43 21.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 117.038 2.236 . . . . 25.0 117.038 -179.598 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -95.29 21.17 8.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.281 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.56 165.35 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.758 -1.11 . . . . 25.0 109.379 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.1 -170.42 18.04 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 105.747 -2.941 . . . . 25.0 105.747 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.51 9.11 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.825 0.813 . . . . 25.0 110.804 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.74 154.1 68.25 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.847 . . . . 25.0 109.283 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.26 -25.19 50.04 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 117.189 -1.407 . . . . 25.0 113.57 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -79.42 -43.87 22.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.04 -30.34 70.0 Favored Glycine 0 C--O 1.21 -1.374 0 C-N-CA 120.371 -0.919 . . . . 25.0 113.909 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.77 -28.78 69.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.238 1.019 . . . . 25.0 109.87 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.8 -38.58 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 791' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 794' ' ' ARG . 6.7 mm-40 -74.93 -32.15 61.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 25.0 110.82 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -44.53 95.63 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.229 -1.397 . . . . 25.0 107.229 173.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.66 72.14 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.866 -0.333 . . . . 25.0 111.837 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 794' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 791' ' ' GLU . 7.4 tmm_? -60.43 -40.62 91.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 174.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 10.9 mt -73.49 -42.29 56.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -26.24 38.68 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.135 0.493 . . . . 25.0 111.158 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -77.44 -31.97 54.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.885 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -89.47 -23.46 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.874 -0.516 . . . . 25.0 111.657 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.522 HG23 HG22 ' A' ' 807' ' ' VAL . 29.9 m -92.65 21.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.925 0.869 . . . . 25.0 109.901 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -122.36 60.91 14.0 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.63 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -70.18 -5.33 16.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 N-CA-C 114.433 0.897 . . . . 25.0 114.433 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -107.55 -1.97 20.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 56.28 41.46 29.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.964 0.905 . . . . 25.0 112.58 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.421 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.5 -8.12 18.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.933 -1.03 . . . . 25.0 110.569 177.591 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.1 20.47 64.9 Favored Glycine 0 C--O 1.233 0.093 0 C-N-CA 121.227 -0.511 . . . . 25.0 113.628 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.421 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.37 153.46 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -178.441 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.522 HG22 HG23 ' A' ' 799' ' ' VAL . 53.4 t -93.61 124.46 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.33 168.49 9.19 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 120.967 0.413 . . . . 25.0 111.51 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.474 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.04 -42.31 37.97 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 114.456 1.28 . . . . 25.0 114.456 178.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -15.85 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 25.0 110.621 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -89.22 -36.4 15.65 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.26 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 71.1 m-85 -59.77 -31.18 69.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 25.0 111.102 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.433 HG21 ' HE2' ' A' ' 748' ' ' MET . 11.6 mm -61.75 -31.58 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.595 0.712 . . . . 25.0 110.685 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.69 -48.43 40.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.786 -1.097 . . . . 25.0 110.716 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.73 -39.2 62.01 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 120.953 0.406 . . . . 25.0 111.346 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.402 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.86 -33.18 64.31 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 114.043 1.127 . . . . 25.0 114.043 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 39.2 t -79.2 -19.83 49.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.25 -1.531 . . . . 25.0 110.44 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -18.51 61.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.543 0.337 . . . . 25.0 111.705 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.63 -17.47 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.707 1.203 . . . . 25.0 111.986 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.9 p -73.76 8.75 1.76 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -128.17 151.84 48.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.24 0.616 . . . . 25.0 109.854 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.32 151.21 46.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.886 1.439 . . . . 25.0 114.886 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.88 171.35 14.18 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.608 172.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.9 -40.33 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.777 0.799 . . . . 25.0 110.181 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.6 p -68.63 -19.27 64.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.319 -0.855 . . . . 25.0 110.68 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.21 -22.43 62.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -35.02 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.78 0.8 . . . . 25.0 110.39 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -71.55 -42.35 67.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.65 . . . . 25.0 112.263 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.8 p -74.94 -30.09 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.396 -0.521 . . . . 25.0 110.013 -173.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.16 -13.03 61.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.72 -19.54 62.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.624 -0.673 . . . . 25.0 110.699 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.9 p -57.32 -27.3 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.65 -27.52 68.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.41 -37.31 80.2 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.843 -0.535 . . . . 25.0 109.604 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.82 -38.64 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.954 -1.128 . . . . 25.0 107.954 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -44.71 96.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.643 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.24 79.75 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.054 0.93 . . . . 25.0 109.468 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 85.82 -102.52 2.67 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 106.141 -2.784 . . . . 25.0 106.141 -171.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -123.59 2.55 8.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.832 1.419 . . . . 25.0 114.832 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.92 152.88 43.19 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -81.06 1.06 33.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 115.096 1.517 . . . . 25.0 115.096 -174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -152.29 160.81 43.28 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -111.49 149.26 14.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.57 -1.641 . . . . 25.0 106.57 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.0 p -87.83 152.33 22.18 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 106.544 -1.65 . . . . 25.0 106.544 173.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.1 mtt -56.36 -34.51 66.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 121.208 0.528 . . . . 25.0 109.689 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -71.97 -25.56 61.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -71.03 -37.18 72.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.34 -39.41 81.9 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -75.51 11.48 1.27 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.097 0.559 . . . . 25.0 112.5 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.6 -41.04 4.42 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -82.89 -26.97 31.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.36 90.87 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.63 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.39 -33.04 75.32 Favored 'Trans proline' 0 CA--C 1.577 2.645 0 N-CA-C 117.986 2.264 . . . . 25.0 117.986 165.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 26.5 Cg_endo -86.64 -165.76 0.27 Allowed 'Trans proline' 0 C--N 1.364 1.359 0 N-CA-C 116.909 1.85 . . . . 25.0 116.909 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -22.16 8.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -60.64 -28.13 68.32 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.564 -0.71 . . . . 25.0 110.499 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.385 -0.822 . . . . 25.0 111.976 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.73 -33.4 70.8 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.904 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.68 71.54 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 173.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.044 -0.262 . . . . 25.0 110.856 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.55 -41.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 110.882 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.98 67.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.05 -4.94 21.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -79.81 154.42 28.46 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.563 -0.711 . . . . 25.0 111.323 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -71.77 136.48 82.91 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.728 -174.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.18 92.29 1.0 Allowed 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 124.223 3.282 . . . . 25.0 114.361 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.319 -0.732 0 CA-C-O 121.606 0.717 . . . . 25.0 112.232 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 CA-C-O 119.525 -0.597 . . . . 25.0 111.953 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.9 138.31 49.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.0 mt -142.0 150.7 41.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.617 0.228 . . . . 25.0 111.617 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 27.2 t0 -89.07 107.6 19.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.532 0.682 . . . . 25.0 110.957 177.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -69.63 -33.42 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.526 -1.215 . . . . 25.0 112.009 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -92.75 -23.44 18.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.9 t -107.75 21.34 17.57 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.161 0.505 . . . . 25.0 109.975 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.3 p90 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 114.484 1.29 . . . . 25.0 114.484 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 116.144 1.905 . . . . 25.0 116.144 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 153.34 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 172.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.4 t -97.55 156.5 16.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 25.0 109.837 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.36 -30.54 71.66 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.93 -36.93 56.23 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.267 -0.271 . . . . 25.0 110.863 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -61.26 -40.84 95.57 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 121.532 0.682 . . . . 25.0 109.998 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.548 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.3 ptp -74.95 -21.32 59.24 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.87 -30.26 26.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.753 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.41 -40.46 17.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.0 t80 -69.86 -20.12 63.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -60.89 -19.96 61.18 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.16 -23.45 62.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.958 0.799 . . . . 25.0 110.068 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -16.26 48.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.12 0.485 . . . . 25.0 110.59 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -23.54 44.34 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.39 -4.89 12.91 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.782 0.325 . . . . 25.0 111.342 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -68.34 -56.25 9.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.953 0.406 . . . . 25.0 112.07 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.415 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.1 m-85 -101.83 4.11 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 16.7 t0 -57.7 104.43 0.18 Allowed 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.938 0.875 . . . . 50.0 111.951 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.506 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.1 OUTLIER -57.5 -35.42 70.2 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.946 -174.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -115.75 -3.66 12.22 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.525 0.516 . . . . 50.0 110.293 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 63.32 30.88 15.59 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 51.8 p -68.97 -10.84 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.417 0.687 . . . . 25.0 112.557 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.93 15.69 60.78 Favored Glycine 0 CA--C 1.51 -0.281 0 N-CA-C 107.646 -2.182 . . . . 25.0 107.646 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.7 p -154.46 136.54 14.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.838 -1.181 . . . . 25.0 108.869 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -95.16 124.78 39.39 Favored 'General case' 0 C--O 1.194 -1.82 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.15 -166.09 33.23 Favored Glycine 0 C--O 1.196 -2.261 0 N-CA-C 109.491 -1.444 . . . . 25.0 109.491 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -62.33 -59.46 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 120.878 2.339 . . . . 25.0 113.857 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.91 -16.61 64.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 122.119 0.961 . . . . 25.0 111.524 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.506 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 19.9 mt-10 -86.66 -46.67 9.85 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.816 -0.754 . . . . 50.0 109.833 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.499 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.4 t80 -58.4 -41.51 85.07 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.66 0.784 . . . . 25.0 111.28 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.06 67.57 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 116.247 -0.433 . . . . 25.0 110.171 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.25 -34.4 21.97 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.313 0.506 . . . . 25.0 110.494 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.415 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.8 t -62.39 -46.84 86.82 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.45 -19.58 37.88 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 116.79 2.145 . . . . 25.0 116.79 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.56 -39.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.1 m -77.88 -10.02 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.973 -176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.33 -9.06 22.7 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.107 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 779' ' ' GLY . . . . . 0.422 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 80.66 53.84 3.89 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 118.658 -1.734 . . . . 25.0 111.059 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.76 163.79 8.81 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 116.698 2.11 . . . . 25.0 116.698 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 781' ' ' ASP . . . . . 0.48 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 51.7 p30 -97.45 17.61 17.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.349 -0.841 . . . . 25.0 110.539 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.44 171.25 18.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 114.957 -1.02 . . . . 25.0 110.082 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.43 -171.94 17.81 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 104.322 -3.511 . . . . 25.0 104.322 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.18 22.46 2.44 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.735 1.267 . . . . 25.0 109.823 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.16 153.78 92.39 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.5 -23.23 50.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 116.195 -2.07 . . . . 25.0 111.667 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -73.87 -46.76 42.77 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.62 -32.6 81.97 Favored Glycine 0 C--O 1.206 -1.631 0 C-N-CA 120.919 -0.657 . . . . 25.0 112.365 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.62 -29.79 70.8 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 117.94 0.87 . . . . 25.0 110.768 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.91 55.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.39 -35.58 75.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.415 -0.812 . . . . 25.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 792' ' ' PHE . . . . . 0.401 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.6 OUTLIER -62.72 -44.96 94.87 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 177.01 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.07 75.03 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.472 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -60.03 -43.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 792' ' ' PHE . 9.1 mt -70.45 -42.6 78.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -27.93 26.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.466 0.65 . . . . 25.0 110.677 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 30.4 t -78.92 -27.87 43.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.816 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.0 pt -92.2 -23.66 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.407 0.549 . . . . 25.0 112.179 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.53 HG23 HG22 ' A' ' 807' ' ' VAL . 35.0 m -90.03 21.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 122.428 1.108 . . . . 25.0 109.852 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -124.2 59.17 17.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.483 -1.235 . . . . 25.0 108.863 175.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.21 -4.43 14.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 114.801 1.039 . . . . 25.0 114.801 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -108.48 -1.69 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 56.94 40.51 28.75 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.06 -8.16 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.819 -1.082 . . . . 25.0 110.88 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.53 24.07 63.67 Favored Glycine 0 N--CA 1.459 0.225 0 C-N-CA 121.277 -0.487 . . . . 25.0 113.804 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.53 154.04 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -179.228 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.53 HG22 HG23 ' A' ' 799' ' ' VAL . 54.4 t -96.41 125.88 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 122.675 0.39 . . . . 25.0 109.998 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.06 169.68 8.41 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.638 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.47 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.19 -43.6 42.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -17.69 60.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.266 0.555 . . . . 25.0 110.236 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.44 -37.6 19.59 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-O 121.538 0.685 . . . . 25.0 111.148 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.47 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 66.5 m-85 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.012 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.548 HG21 ' HE1' ' A' ' 748' ' ' MET . 9.5 mm -61.1 -32.34 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.888 0.851 . . . . 25.0 110.365 -176.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.34 -50.36 9.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.16 -1.382 . . . . 25.0 110.624 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.48 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 1.6 t80 -77.03 -42.46 38.43 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 119.996 -0.682 . . . . 25.0 111.749 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.15 34.52 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 114.566 1.321 . . . . 25.0 114.566 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 -20.12 50.13 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.088 -1.632 . . . . 25.0 110.86 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -78.27 -21.64 49.51 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.174 0.511 . . . . 25.0 110.417 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.432 ' HB3' HE21 ' A' ' 856' ' ' GLN . 1.7 tt0 -59.74 -7.41 1.58 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.326 1.45 . . . . 25.0 112.556 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 74.8 p -80.35 -0.82 38.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.775 -0.578 . . . . 25.0 111.651 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -110.01 161.08 15.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.834 0.454 . . . . 25.0 110.266 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.46 148.41 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.81 159.74 41.5 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 121.854 0.062 . . . . 25.0 111.139 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.39 -35.73 79.9 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.914 1.34 . . . . 25.0 109.943 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 825' ' ' THR . . . . . 0.422 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 2.9 p -74.92 -16.32 60.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 112.344 -2.207 . . . . 25.0 113.209 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.466 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -48.53 -26.46 2.19 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -177.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.85 -37.8 74.52 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.996 0.903 . . . . 25.0 110.192 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -68.75 -39.95 80.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.948 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 826' ' ' ALA . 7.8 p -76.72 -36.33 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 -177.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 95.1 mtp -66.27 -16.26 63.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.74 62.81 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 122.116 -0.365 . . . . 25.0 111.155 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 99.6 p -62.33 -24.92 67.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.247 -0.283 . . . . 25.0 111.647 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -65.62 -22.71 66.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.215 -0.303 . . . . 25.0 111.759 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -69.09 -36.96 78.16 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.65 -41.35 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.516 -1.29 . . . . 25.0 107.516 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -46.39 89.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.492 -0.776 . . . . 25.0 111.044 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.65 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.147 0.975 . . . . 25.0 108.763 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 87.78 -102.34 2.8 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -114.98 3.44 14.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.715 0.757 . . . . 25.0 112.984 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 18.3 ptmt -89.54 155.04 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -79.13 -11.49 59.98 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.571 1.323 . . . . 25.0 114.571 -176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -136.93 169.05 18.41 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' A' ' 847' ' ' GLU . 2.4 tp -123.05 146.88 27.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 105.321 -2.103 . . . . 25.0 105.321 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 44.2 p -85.56 152.8 22.87 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.147 -2.168 . . . . 25.0 105.147 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.1 mtt -54.28 -37.07 64.33 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 173.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.99 -31.19 69.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.265 -0.88 . . . . 25.0 113.245 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.426 ' HB2' HG13 ' A' ' 843' ' ' ILE . 8.5 mt-10 -66.22 -37.97 86.82 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.42 -43.83 80.27 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -76.5 28.21 0.12 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.289 0.636 . . . . 25.0 111.403 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -127.57 -34.0 2.26 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.492 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 15.1 pt-20 -96.77 -25.89 15.34 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.76 -1.564 . . . . 25.0 107.093 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.6 mt -119.57 81.83 24.81 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 123.179 0.592 . . . . 25.0 110.404 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -63.16 -22.17 72.77 Favored 'Trans proline' 0 CA--C 1.575 2.547 1 C-N-CA 113.178 -4.081 . . . . 25.0 116.948 167.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.417 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 39.8 Cg_endo -81.9 -167.4 0.48 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 N-CA-C 116.731 1.781 . . . . 25.0 116.731 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -25.89 4.95 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 116.738 2.125 . . . . 25.0 116.738 176.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 856' ' ' GLN . . . . . 0.432 HE21 ' HB3' ' A' ' 819' ' ' GLU . 15.5 mp0 -57.22 -30.17 64.36 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.7 71.3 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 121.826 -0.546 . . . . 25.0 110.943 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.35 -36.49 76.94 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 120.211 -0.596 . . . . 25.0 110.651 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -53.31 59.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.1 -42.46 99.59 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.996 0.369 . . . . 25.0 111.996 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.18 -41.34 86.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.28 -17.44 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.34 5.83 13.62 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 121.993 -0.442 . . . . 25.0 110.53 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -89.98 162.46 15.38 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.93 -0.482 . . . . 25.0 111.579 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -79.69 132.92 59.94 Favored Pre-proline 0 C--O 1.22 -0.487 0 O-C-N 122.17 -0.331 . . . . 25.0 110.822 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.63 87.69 0.94 Allowed 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.77 2.98 . . . . 25.0 114.479 -176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 122.06 0.933 . . . . 25.0 112.514 -178.683 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.54 137.5 50.67 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.3 mt -142.15 145.48 34.25 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 122.811 0.069 . . . . 25.0 110.866 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.48 115.57 22.13 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.556 -0.858 . . . . 25.0 110.459 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -67.18 -40.47 86.56 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.542 0.526 . . . . 25.0 111.827 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.19 -30.2 18.72 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.1 t -97.82 17.56 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.784 0.326 . . . . 25.0 110.174 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.483 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 15.9 p90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 114.457 1.28 . . . . 25.0 114.457 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 743' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.0 OUTLIER -115.47 146.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 117.566 2.432 . . . . 25.0 117.566 -176.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 744' ' ' SER . . . . . 0.401 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 83.2 p -97.5 168.0 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.37 -0.832 . . . . 25.0 109.886 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -68.4 -27.84 66.56 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.276 -0.42 . . . . 25.0 110.447 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.93 -39.16 26.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.096 -0.335 . . . . 25.0 110.096 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -60.23 -39.2 85.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.086 0.469 . . . . 25.0 110.873 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.31 -21.06 58.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.6 -33.23 31.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.864 -0.334 . . . . 25.0 110.655 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.49 -38.48 26.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 47.3 t80 -73.22 -21.3 60.67 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -63.49 -19.85 65.11 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.77 68.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-O 122.054 0.93 . . . . 25.0 112.789 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.3 p -58.4 -22.57 54.45 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.135 -0.978 . . . . 25.0 110.008 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -23.49 22.7 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.37 -2.19 10.64 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -68.24 -57.45 5.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.539 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -104.14 5.83 35.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.656 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -57.19 103.82 0.14 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 122.395 1.093 . . . . 50.0 112.385 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 34.1 ttp180 -53.88 -37.68 63.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.002 -1.908 . . . . 25.0 113.462 -175.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.45 4.93 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.08 -0.509 . . . . 50.0 110.905 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 56.82 34.99 25.64 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.212 1.006 . . . . 25.0 112.531 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 63.0 p -75.58 -6.44 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.608 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.35 14.56 68.38 Favored Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.36 14.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.606 -1.297 . . . . 25.0 109.22 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.7 129.13 40.13 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.445 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.8 -166.72 40.88 Favored Glycine 0 C--O 1.195 -2.339 0 N-CA-C 108.63 -1.788 . . . . 25.0 108.63 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.84 -63.72 0.12 Allowed 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 120.956 2.378 . . . . 25.0 114.325 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.39 -16.73 64.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.897 0.856 . . . . 25.0 110.548 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 15.0 mt-10 -85.15 -45.88 11.63 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 119.427 -0.909 . . . . 50.0 109.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.2 t80 -59.05 -42.29 89.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 123.383 0.673 . . . . 25.0 111.09 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -23.72 67.37 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.016 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.62 -35.06 21.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.12 -44.87 95.7 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 19.0 mt -60.35 -21.23 61.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 116.04 1.867 . . . . 25.0 116.04 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 34.6 mt -63.81 -36.72 77.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.4 t -73.01 -5.3 37.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.195 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.91 -22.18 12.31 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.019 0.2 . . . . 25.0 111.502 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.52 51.8 2.11 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 119.446 -1.359 . . . . 25.0 110.608 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -61.07 165.34 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 117.404 2.372 . . . . 25.0 117.404 179.635 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 781' ' ' ASP . . . . . 0.404 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 31.4 p-10 -99.15 15.12 27.0 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.937 0.895 . . . . 25.0 110.991 -175.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.98 172.12 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -158.99 -164.37 14.31 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 107.322 -2.311 . . . . 25.0 107.322 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -83.8 23.29 1.01 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.856 0.836 . . . . 25.0 109.191 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.67 154.53 73.55 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.101 -0.954 . . . . 25.0 110.937 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -64.81 -23.07 62.96 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.281 -1.346 . . . . 25.0 113.349 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -87.13 -45.28 10.83 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.58 90.32 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 120.668 -0.777 . . . . 25.0 114.891 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -65.3 -26.67 68.16 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 118.518 1.159 . . . . 25.0 110.492 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.93 -41.31 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.57 -34.07 71.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.095 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -49.21 76.61 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.95 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 25.0 111.62 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.27 -40.14 96.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.57 -42.12 63.35 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.72 32.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.29 0.567 . . . . 25.0 111.272 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 33.4 t -83.05 -18.41 39.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.451 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.3 pt -99.23 -23.55 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 807' ' ' VAL . 27.5 m -92.42 23.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.827 0.822 . . . . 25.0 111.192 -177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.78 64.17 31.19 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 121.952 0.882 . . . . 25.0 108.837 167.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.16 5.87 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.538 2.158 . . . . 25.0 115.977 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -113.66 -0.77 14.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.109 -1.812 . . . . 25.0 106.109 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 56.32 39.9 30.0 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.083 1.353 . . . . 25.0 114.026 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -6.25 21.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.764 -1.107 . . . . 25.0 112.27 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.02 25.6 63.93 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.926 -0.654 . . . . 25.0 113.83 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.68 152.82 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 799' ' ' VAL . 45.0 t -90.73 126.05 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.06 0.457 . . . . 25.0 109.787 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.1 p -105.6 165.65 11.0 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.326 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.483 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -50.46 -42.15 53.97 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 178.342 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.51 -18.14 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.173 0.511 . . . . 25.0 110.28 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.6 18.75 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.131 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.483 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.6 m-85 -57.08 -33.07 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.517 0.675 . . . . 25.0 110.993 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.8 -32.74 50.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.173 -0.922 . . . . 25.0 111.016 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.55 -46.93 57.86 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.258 -0.883 . . . . 25.0 110.348 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.404 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.0 t80 -75.2 -37.99 60.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.986 0.898 . . . . 25.0 110.673 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.459 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -59.24 -27.41 65.75 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 121.063 -1.023 . . . . 25.0 112.505 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -22.51 32.41 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.694 -1.254 . . . . 25.0 110.179 176.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -69.77 -22.14 63.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.737 -0.665 . . . . 25.0 110.613 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -49.67 -30.1 8.51 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.708 1.603 . . . . 25.0 114.671 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 76.4 p -70.17 3.69 2.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.11 -152.29 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 121.453 0.644 . . . . 25.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.02 149.0 46.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.14 163.14 38.44 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -75.9 -41.72 51.1 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.534 1.159 . . . . 25.0 109.513 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 41.0 p -66.7 -16.31 64.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.713 -1.131 . . . . 25.0 110.876 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.45 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -57.48 -24.52 56.27 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.9 -33.84 72.39 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.897 0.856 . . . . 25.0 110.347 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.84 -38.03 67.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.808 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 826' ' ' ALA . 12.1 p -81.52 -35.71 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.184 -0.607 . . . . 25.0 111.438 -175.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -66.27 -18.04 65.12 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.722 -0.611 . . . . 25.0 110.842 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.13 -28.93 63.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.256 0.55 . . . . 25.0 109.679 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 832' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 835' ' ' ILE . 7.7 m -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.458 0.911 . . . . 25.0 113.458 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.35 -26.64 68.85 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.763 -0.586 . . . . 25.0 111.092 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.84 70.12 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.117 -0.698 . . . . 25.0 109.117 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 832' ' ' SER . 3.8 mp -77.13 -39.48 28.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -47.09 85.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.457 -0.792 . . . . 25.0 110.387 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -70.16 -41.95 73.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.048 0.928 . . . . 25.0 109.911 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.3 -86.87 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.607 -0.997 . . . . 25.0 110.607 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -115.03 -24.34 8.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -69.77 150.66 46.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.3 0.572 . . . . 25.0 110.929 -173.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -83.94 2.05 40.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -149.51 161.16 42.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 105.2 -2.148 . . . . 25.0 105.2 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -112.75 150.85 14.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.178 -1.786 . . . . 25.0 106.178 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 70.5 p -91.15 154.71 19.15 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.3 mtt -57.55 -34.21 68.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.67 -33.12 75.21 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.326 -0.852 . . . . 25.0 111.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.45 -36.94 71.41 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.988 -0.445 . . . . 25.0 110.53 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.98 -38.76 83.11 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -75.04 7.24 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.42 -32.66 8.92 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.999 -1.112 . . . . 25.0 107.999 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -93.68 -28.14 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.281 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.5 90.98 46.32 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.74 0.416 . . . . 25.0 111.298 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.69 -28.5 76.66 Favored 'Trans proline' 0 CA--C 1.57 2.279 0 C-N-CA 114.616 -3.123 . . . . 25.0 117.058 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.401 ' HB3' ' H ' ' A' ' 744' ' ' SER . 57.1 Cg_endo -76.89 -172.36 1.4 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 116.602 -1.799 . . . . 25.0 116.649 176.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -16.4 2.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.798 1.639 . . . . 25.0 111.769 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -34.43 61.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.13 82.89 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.766 -0.374 . . . . 25.0 110.818 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.34 -32.87 66.86 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.416 -0.514 . . . . 25.0 112.315 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -50.98 68.94 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 172.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.63 -42.67 98.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.455 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.88 -41.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 122.853 0.461 . . . . 25.0 110.212 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -12.13 50.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.808 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.484 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -81.09 153.14 27.49 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.142 -0.349 . . . . 25.0 111.225 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.8 133.13 86.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.338 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.4 88.62 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.549 2.832 . . . . 25.0 115.26 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 178.862 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.606 0 CA-C-O 119.095 -0.836 . . . . 25.0 114.445 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 139.59 48.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.98 149.96 40.75 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.389 0.144 . . . . 25.0 111.389 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -90.73 110.01 21.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.509 0.671 . . . . 25.0 110.544 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -70.11 -36.43 74.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.659 -1.155 . . . . 25.0 111.926 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -89.26 -25.97 21.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.2 t -103.95 20.27 18.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.651 0.262 . . . . 25.0 110.99 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 4.4 p90 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 116.547 2.054 . . . . 25.0 116.547 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.54 149.21 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.1 t -95.27 155.94 16.53 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.99 -0.444 . . . . 25.0 109.864 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.22 -28.76 69.91 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.88 -36.72 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.723 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -62.33 -41.61 98.7 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 121.472 0.654 . . . . 25.0 110.038 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.502 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.1 ptp -72.49 -21.04 61.27 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -42.32 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.714 -0.395 . . . . 25.0 110.632 -175.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -38.39 63.79 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.4 t80 -70.51 -27.34 64.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -20.92 66.37 Favored 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.85 -23.33 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 118.454 0.57 . . . . 25.0 109.751 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.4 t -63.07 -13.24 33.56 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.048 -0.407 . . . . 25.0 110.883 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -56.02 -23.76 35.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.72 -13.31 12.68 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.769 0.319 . . . . 25.0 111.399 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.06 -51.93 48.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.175 0.805 . . . . 25.0 113.175 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.52 1.44 38.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.361 -0.381 . . . . 25.0 111.637 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.431 ' HA ' HD13 ' A' ' 766' ' ' LEU . 20.8 t0 -56.62 103.0 0.09 Allowed 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.839 0.828 . . . . 50.0 111.781 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.517 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 38.8 mtt180 -55.41 -35.6 65.54 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 114.056 -1.429 . . . . 25.0 113.645 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -115.61 -3.09 12.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.848 -0.614 . . . . 75.0 111.025 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 60.39 33.04 20.77 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.074 1.509 . . . . 25.0 115.074 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 59.5 p -70.3 -10.43 58.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.341 0.656 . . . . 25.0 112.431 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.83 16.4 56.44 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 107.582 -2.207 . . . . 25.0 107.582 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.95 137.56 13.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.721 -0.74 . . . . 25.0 109.718 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -92.78 125.59 37.47 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.417 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -84.26 -164.71 37.98 Favored Glycine 0 C--O 1.198 -2.097 0 N-CA-C 109.413 -1.475 . . . . 25.0 109.413 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.79 -60.76 0.19 Allowed 'Trans proline' 0 C--N 1.33 -0.444 0 CA-C-N 120.874 2.337 . . . . 25.0 114.881 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.48 -16.88 64.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.963 0.887 . . . . 25.0 110.928 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.517 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 7.0 mt-10 -87.26 -46.15 9.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.242 -0.89 . . . . 50.0 109.561 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.443 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.4 t80 -59.36 -42.26 91.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 123.506 0.722 . . . . 25.0 110.768 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -22.43 66.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.65 -35.38 20.96 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.1 t -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.124 0.964 . . . . 25.0 108.555 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 20.6 mt -57.51 -18.8 20.77 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 116.587 2.069 . . . . 25.0 116.587 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.68 -39.23 83.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.9 m -75.01 -14.2 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.245 -175.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.95 -15.15 22.54 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.989 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.32 50.37 3.86 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 118.948 -1.596 . . . . 25.0 111.056 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.38 160.82 10.19 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.538 2.051 . . . . 25.0 116.538 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.37 13.44 19.46 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.817 0.818 . . . . 25.0 111.321 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.39 174.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.044 -0.98 . . . . 25.0 108.73 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.64 -160.84 9.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.898 -2.081 . . . . 25.0 107.898 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 4.95 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.684 0.742 . . . . 25.0 109.805 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -72.17 148.77 91.59 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.61 -22.9 37.34 Favored 'Trans proline' 0 CA--C 1.521 -0.161 0 CA-C-N 118.363 0.451 . . . . 25.0 112.257 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.18 -39.91 82.39 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -84.08 -30.94 27.13 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.264 -0.97 . . . . 25.0 112.657 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.97 -26.23 68.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 118.461 1.13 . . . . 25.0 110.675 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -76.01 -34.76 59.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.175 -0.92 . . . . 25.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 792' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.04 -43.22 95.5 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 175.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.54 -32.12 71.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.09 0.471 . . . . 25.0 111.416 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 792' ' ' PHE . 16.2 mt -71.48 -41.63 72.82 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -23.0 27.3 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.115 0.484 . . . . 25.0 111.271 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.6 t -80.84 -29.71 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.621 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -91.01 -23.49 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.811 -0.555 . . . . 25.0 111.91 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 807' ' ' VAL . 33.6 m -91.71 24.21 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 122.284 1.04 . . . . 25.0 109.712 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -130.94 68.51 81.96 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.232 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.66 0.47 4.81 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 N-CA-C 114.743 1.017 . . . . 25.0 114.743 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -115.21 -4.03 12.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.028 0.831 . . . . 25.0 109.594 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 51.75 41.48 29.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.112 0.965 . . . . 25.0 112.863 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.503 HD13 HG23 ' A' ' 806' ' ' VAL . 0.1 OUTLIER -97.87 -10.33 24.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.755 -1.112 . . . . 25.0 108.946 177.387 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.78 21.89 51.75 Favored Glycine 0 N--CA 1.458 0.127 0 CA-C-N 115.901 -0.591 . . . . 25.0 113.463 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.503 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -143.91 152.92 15.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.908 -0.405 . . . . 25.0 109.908 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.483 HG22 HG23 ' A' ' 799' ' ' VAL . 46.9 t -93.12 129.46 43.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.58 165.46 11.79 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.639 -0.709 . . . . 25.0 112.316 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.484 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -49.84 -40.06 40.98 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -15.98 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.599 . . . . 25.0 110.578 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -90.04 -37.25 14.41 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.157 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.484 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 65.2 m-85 -57.31 -32.22 66.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.374 0.606 . . . . 25.0 111.496 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.502 HG21 ' HE2' ' A' ' 748' ' ' MET . 8.7 mm -59.94 -33.41 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.486 -0.779 . . . . 25.0 111.014 -176.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.17 -46.06 53.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.02 -0.991 . . . . 25.0 111.056 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -74.65 -41.05 61.05 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.315 0.579 . . . . 25.0 110.221 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -34.02 58.64 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.2 t -80.88 -19.71 43.86 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.337 -1.477 . . . . 25.0 110.603 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.76 -21.55 55.05 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.602 -0.272 . . . . 25.0 111.226 176.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -58.86 -9.73 2.0 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.836 1.254 . . . . 25.0 112.923 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.4 p -70.91 1.36 5.67 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.288 -0.882 . . . . 25.0 112.72 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -112.97 152.26 29.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.93 -1.137 . . . . 25.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.2 158.62 27.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.092 0.473 . . . . 25.0 111.716 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.08 163.77 35.21 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.477 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -64.03 -34.61 78.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.486 1.136 . . . . 25.0 109.727 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 3.3 p -77.08 -13.41 59.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.717 -1.129 . . . . 25.0 112.39 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.87 -21.8 63.63 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.68 -33.56 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.911 0.862 . . . . 25.0 110.151 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -73.18 -40.61 64.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.868 -0.606 . . . . 25.0 112.541 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.6 p -77.17 -33.18 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.618 -0.433 . . . . 25.0 109.868 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 46.6 mtt -67.69 -6.07 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 25.0 112.015 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.19 64.33 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.928 -0.483 . . . . 25.0 110.971 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.5 p -60.33 -28.0 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.085 0.469 . . . . 25.0 111.337 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -66.86 -22.79 65.97 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.183 -0.323 . . . . 25.0 111.086 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -36.69 68.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.05 -43.18 89.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.61 -46.04 90.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.27 90.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.816 0.817 . . . . 25.0 109.367 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.58 -86.57 1.04 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.978 -0.629 . . . . 25.0 112.076 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.91 -19.6 10.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.7 ptmt -73.78 155.22 39.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.197 0.522 . . . . 25.0 109.806 -176.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -90.85 3.11 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -148.31 161.21 41.99 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 105.488 -2.042 . . . . 25.0 105.488 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -113.04 150.69 15.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.1 p -89.16 150.37 22.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 105.68 -1.971 . . . . 25.0 105.68 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 56.2 mtt -54.12 -34.82 61.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.483 0.659 . . . . 25.0 110.093 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.76 -27.17 63.73 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.196 0.813 . . . . 25.0 113.196 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.35 -35.03 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.2 -37.79 75.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -80.18 28.85 0.29 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.532 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -121.8 -35.92 3.12 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 -176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.491 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -100.62 -21.71 15.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.086 -1.415 . . . . 25.0 108.683 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.491 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 9.6 mt -116.66 81.99 12.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -62.22 -25.69 77.06 Favored 'Trans proline' 0 CA--C 1.576 2.6 0 C-N-CA 113.907 -3.595 . . . . 25.0 117.249 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.15 -167.73 0.51 Allowed 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 117.005 1.887 . . . . 25.0 117.005 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.12 -20.56 26.5 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.278 -1.328 . . . . 25.0 112.218 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -35.06 71.16 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.336 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.26 -51.3 69.91 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.464 0.649 . . . . 25.0 111.324 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 858' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 858' ' ' GLU . 5.3 pt-20 -77.07 -32.05 56.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.727 -0.669 . . . . 25.0 112.087 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.96 74.71 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 171.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.71 -44.26 86.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.801 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 31.2 mt -58.21 -42.5 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.924 0.392 . . . . 25.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.1 71.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -97.27 -15.55 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.827 -0.545 . . . . 25.0 111.129 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.502 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 6.9 ttm -69.85 154.82 41.44 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.189 -0.319 . . . . 25.0 111.347 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.02 137.64 76.02 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.187 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.14 91.62 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 125.206 3.937 . . . . 25.0 112.912 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.659 1.218 . . . . 25.0 113.869 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.353 0 N-CA-C 112.5 -0.24 . . . . 25.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 136.32 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.6 mt -141.95 152.04 43.13 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.949 0.099 . . . . 25.0 110.996 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.31 107.15 18.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 121.598 0.713 . . . . 25.0 111.727 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -64.64 -34.98 79.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.489 -1.232 . . . . 25.0 111.703 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -95.92 -15.0 22.67 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.4 t -114.32 20.21 15.68 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.6 p90 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 113.888 1.07 . . . . 25.0 113.888 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.926 0.393 . . . . 25.0 110.623 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.21 156.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.918 -0.583 . . . . 25.0 109.638 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.1 t -101.01 163.1 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.027 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.39 -33.4 75.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.18 -38.34 56.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 747' ' ' GLN . . . . . 0.451 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.9 tp60 -59.82 -42.19 92.97 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.426 0.454 . . . . 25.0 110.755 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.416 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.8 ptp -73.2 -22.11 60.53 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.601 -0.888 . . . . 25.0 108.601 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -41.32 30.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.991 -0.284 . . . . 25.0 111.695 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.76 -35.0 45.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.9 t80 -70.8 -28.09 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -19.96 64.93 Favored 'General case' 0 C--O 1.199 -1.589 0 O-C-N 121.24 -0.913 . . . . 25.0 109.087 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.27 61.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.766 0.712 . . . . 25.0 109.821 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -14.05 48.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.039 -0.413 . . . . 25.0 110.262 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -23.74 51.8 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 173.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.28 -16.81 13.65 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.699 0.285 . . . . 25.0 111.631 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -63.99 -51.59 63.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.09 0.92 30.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 25.0 111.556 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.455 ' HA ' HD13 ' A' ' 766' ' ' LEU . 21.7 t0 -56.99 103.91 0.13 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.835 0.826 . . . . 50.0 112.118 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 36.4 mtt180 -53.51 -38.46 63.74 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 114.206 -1.361 . . . . 25.0 114.37 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -118.99 3.98 11.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.353 0.408 . . . . 50.0 111.258 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 57.68 41.34 25.51 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 122.06 0.933 . . . . 25.0 113.289 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -13.75 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.819 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.43 15.01 57.8 Favored Glycine 0 C--O 1.228 -0.248 0 N-CA-C 107.735 -2.146 . . . . 25.0 107.735 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.7 p -155.94 138.16 14.72 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.3 mm? -89.23 129.45 35.8 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.569 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.76 -168.34 43.49 Favored Glycine 0 C--O 1.198 -2.127 0 N-CA-C 109.6 -1.4 . . . . 25.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.71 -57.58 0.43 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 120.813 2.307 . . . . 25.0 115.26 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -68.65 -16.8 63.95 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.996 0.903 . . . . 25.0 109.894 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 4.8 mt-10 -88.53 -45.78 9.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.091 -0.959 . . . . 50.0 110.619 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.498 ' CG ' HG21 ' A' ' 807' ' ' VAL . 19.9 t80 -58.63 -41.44 86.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.934 0.894 . . . . 25.0 109.994 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -21.95 66.23 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.295 -0.412 . . . . 25.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.55 -35.63 20.97 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.68 -48.11 82.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.36 -18.74 18.83 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.3 -38.66 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.6 m -76.95 -9.05 58.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.828 -0.624 . . . . 25.0 112.03 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.38 -9.41 22.26 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 79.2 41.98 12.86 Favored Glycine 0 C--O 1.225 -0.456 0 C-N-CA 118.601 -1.762 . . . . 25.0 111.242 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 163.87 0.8 Allowed 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 117.635 2.457 . . . . 25.0 117.635 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -99.45 17.92 19.1 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.565 0.698 . . . . 25.0 111.16 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.68 170.98 18.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.361 -0.836 . . . . 25.0 109.757 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -167.18 -164.9 23.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 106.924 -2.47 . . . . 25.0 106.924 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -87.92 55.21 3.37 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -114.04 153.38 46.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.089 -1.414 . . . . 25.0 107.548 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.06 -23.97 66.98 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.604 -1.131 . . . . 25.0 114.147 -175.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.04 -46.68 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.743 -0.466 . . . . 25.0 109.743 175.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.09 -29.88 73.63 Favored Glycine 0 C--O 1.212 -1.265 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.59 -28.33 69.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.933 1.366 . . . . 25.0 110.659 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.85 -42.89 48.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.72 -33.61 71.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.434 -0.803 . . . . 25.0 110.091 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -48.85 74.4 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 122.359 1.076 . . . . 25.0 109.913 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 793' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 796' ' ' MET . . . -69.59 -28.95 66.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.835 -176.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.57 -38.71 91.96 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.5 mt -76.26 -36.95 31.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.423 ' HB2' ' HA ' ' A' ' 793' ' ' ALA . 0.0 OUTLIER -56.7 -23.83 44.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 123.691 1.71 . . . . 25.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.7 t -82.13 -21.69 36.53 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 113.573 -1.649 . . . . 25.0 114.103 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.92 -24.95 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.458 0 CA-C-O 125.374 2.511 . . . . 25.0 107.183 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.903 ' HA ' ' HB1' ' A' ' 811' ' ' ALA 0.295 0.5 OUTLIER -94.19 11.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 CA-C-N 110.995 -2.821 . . . . 25.0 111.351 -174.928 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -128.09 61.48 52.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 125.237 1.585 . . . . 25.0 107.711 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.05 -1.56 10.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 117.49 -1.207 . . . . 25.0 114.658 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -108.17 -3.87 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 57.15 39.57 28.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.99 0.916 . . . . 25.0 112.922 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -101.0 -7.28 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.883 -1.053 . . . . 25.0 108.659 177.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.44 21.14 65.09 Favored Glycine 0 C--O 1.235 0.16 0 C-N-CA 120.954 -0.641 . . . . 25.0 113.406 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.434 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -138.88 152.88 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 799' ' ' VAL . 48.8 t -91.85 125.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 122.914 0.486 . . . . 25.0 111.829 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 808' ' ' THR . . . . . 0.51 ' O ' ' HB3' ' A' ' 811' ' ' ALA . 0.1 OUTLIER -104.38 167.25 9.87 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.494 0.664 . . . . 25.0 111.861 -179.155 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.63 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.7 OUTLIER -60.96 -30.44 70.25 Favored 'General case' 0 C--O 1.198 -1.606 0 N-CA-C 118.512 2.782 . . . . 25.0 118.512 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -14.99 59.12 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 811' ' ' ALA . . . . . 0.903 ' HB1' ' HA ' ' A' ' 799' ' ' VAL . . . -87.88 -62.49 1.48 Allowed 'General case' 0 C--O 1.198 -1.657 0 CA-C-N 114.956 -1.02 . . . . 25.0 110.7 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.63 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 69.2 m-85 -33.49 -35.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 116.186 1.921 . . . . 25.0 116.186 173.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.416 HG21 ' HE1' ' A' ' 748' ' ' MET . 19.8 mm -57.43 -35.3 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.629 0.771 . . . . 25.0 110.993 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -45.35 -51.98 10.45 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 121.74 0.781 . . . . 25.0 109.773 173.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -69.65 -43.68 72.09 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.455 0.645 . . . . 25.0 111.155 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -31.16 61.52 Favored 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.7 t -82.71 -20.81 35.35 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.438 -1.413 . . . . 25.0 109.697 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -73.61 -21.51 60.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.481 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -14.3 11.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.354 1.062 . . . . 25.0 112.235 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 64.1 p -73.92 -3.56 29.71 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.925 -0.484 . . . . 25.0 111.443 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.2 132.07 48.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -65.55 141.69 58.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.726 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 3.7 m -140.13 157.04 46.25 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 122.493 1.139 . . . . 25.0 110.2 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -15.77 63.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.591 -1.186 . . . . 25.0 112.986 177.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.8 65.98 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.344 -0.222 . . . . 25.0 111.452 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.5 -33.07 70.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.995 0.903 . . . . 25.0 110.027 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -69.69 -40.41 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.057 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.48 -32.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 40.5 mtm -61.79 -18.85 61.47 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.84 -19.44 4.4 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 90.5 p -52.68 -30.39 31.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.944 0.498 . . . . 25.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 833' ' ' PHE . . . . . 0.409 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -62.43 -22.24 66.03 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.4 -0.813 . . . . 25.0 112.669 179.105 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -79.9 -34.79 38.77 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 120.978 -1.076 . . . . 25.0 108.592 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.29 -43.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.79 -46.45 89.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.692 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.2 92.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.873 0.844 . . . . 25.0 109.239 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.65 -91.31 0.96 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 25.0 110.802 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -115.08 -6.59 12.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -84.25 155.11 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.504 -0.747 . . . . 25.0 109.56 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.33 1.45 54.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -146.76 161.28 40.95 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -113.34 151.2 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.6 p -91.61 150.86 20.97 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 105.649 -1.982 . . . . 25.0 105.649 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.6 mtt -55.56 -34.19 64.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.513 0.673 . . . . 25.0 109.215 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.41 -32.59 74.27 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.779 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.55 -39.0 74.22 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.862 -0.524 . . . . 25.0 110.482 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.33 -35.53 79.59 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -80.74 20.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.088 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -109.97 -42.36 4.24 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -90.96 -27.25 18.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.775 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 857' ' ' ALA . 0.0 OUTLIER -120.83 86.47 41.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.191 178.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.9 -23.24 68.44 Favored 'Trans proline' 0 CA--C 1.581 2.873 0 C-N-CA 113.876 -3.616 . . . . 25.0 117.732 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.451 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 33.1 Cg_endo -82.16 -164.61 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 116.891 1.843 . . . . 25.0 116.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.69 -28.89 50.89 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 113.996 1.109 . . . . 25.0 113.996 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -54.94 -31.24 60.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 122.065 -0.397 . . . . 25.0 110.925 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -68.39 -48.26 65.18 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.371 -0.831 . . . . 25.0 111.984 176.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.45 -34.73 76.48 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.34 -0.544 . . . . 25.0 110.772 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -51.75 67.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.499 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -44.09 95.27 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.575 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.1 mt -60.0 -42.51 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 122.734 0.414 . . . . 25.0 110.578 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.092 -0.504 . . . . 25.0 111.598 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -11.56 58.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -77.09 150.54 35.65 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -72.61 141.59 82.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.954 -175.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.86 92.11 1.15 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 124.926 3.75 . . . . 25.0 116.007 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.6 m-85 . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.691 0.758 . . . . 25.0 111.383 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 N-CA-C 108.606 -1.798 . . . . 25.0 108.606 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 139.48 48.49 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.546 0.738 . . . . 25.0 109.042 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.5 mt -142.04 153.21 44.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.151 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.653 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 31.1 t0 -89.88 106.57 18.56 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.731 0.777 . . . . 25.0 110.374 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 879' ' ' TYR . . . . . 0.409 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 46.8 p90 -68.64 -35.72 77.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.331 -1.304 . . . . 25.0 112.324 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -90.81 -22.57 20.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.7 t -108.78 20.47 18.45 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 25.0 110.238 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.0 p90 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 115.634 1.716 . . . . 25.0 115.634 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 120.462 0.172 . . . . 25.0 110.627 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.36 148.01 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.719 0.771 . . . . 25.0 110.565 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -93.3 157.04 16.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -62.7 -30.82 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.72 -36.72 36.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.521 -0.472 . . . . 25.0 110.475 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -60.16 -38.33 82.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.537 0.684 . . . . 25.0 110.514 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.54 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.9 ptp -76.96 -21.61 54.49 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 749' ' ' ASN . . . . . 0.674 ' HA ' ' HD2' ' A' ' 752' ' ' ARG . 0.2 OUTLIER -82.67 -29.64 29.82 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.638 -0.664 . . . . 25.0 111.9 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.41 -33.37 25.74 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 174.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 31.5 t80 -81.83 -24.23 35.97 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.02 1.859 . . . . 25.0 116.02 -175.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 752' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 749' ' ' ASN . 0.0 OUTLIER -68.74 -16.97 63.97 Favored 'General case' 1 N--CA 1.363 -4.823 0 C-N-CA 115.544 -2.463 . . . . 25.0 111.373 179.459 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.48 63.73 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -59.4 -14.7 13.04 Favored 'General case' 0 C--N 1.255 -3.535 0 C-N-CA 125.271 1.428 . . . . 25.0 110.034 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 755' ' ' PHE . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 812' ' ' PHE . 2.5 p90 -56.47 -24.88 48.75 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 114.138 1.162 . . . . 25.0 114.138 171.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -6.92 12.97 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.205 0.941 . . . . 25.0 111.006 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -76.57 -55.34 5.61 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.132 -0.486 . . . . 25.0 112.081 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.421 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 1.0 OUTLIER -104.08 1.09 30.5 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 119.724 -0.79 . . . . 25.0 112.173 -177.471 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.9 t0 -47.05 102.53 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.953 1.358 . . . . 50.0 112.488 174.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.423 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 13.1 ttp180 -53.62 -35.79 61.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.65 -2.068 . . . . 25.0 113.771 -175.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.76 3.97 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 50.0 111.343 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 58.17 36.08 25.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 73.7 p -73.85 -6.77 49.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.027 0.531 . . . . 25.0 111.998 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.49 2.68 61.62 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 109.448 -1.461 . . . . 25.0 109.448 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.2 p -155.71 156.48 34.97 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.715 0.806 . . . . 25.0 109.543 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.757 HD23 ' HZ ' ' A' ' 812' ' ' PHE . 1.3 mm? -104.86 147.5 27.67 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.328 -0.949 . . . . 25.0 108.92 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.492 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -88.65 -163.65 39.56 Favored Glycine 0 C--N 1.304 -1.203 0 N-CA-C 106.932 -2.467 . . . . 25.0 106.932 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.94 -55.85 0.24 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 CA-C-N 121.174 2.487 . . . . 25.0 112.609 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.47 -17.28 64.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.08 0.943 . . . . 25.0 110.569 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.7 mt-10 -88.75 -52.77 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 116.436 -1.745 . . . . 50.0 111.692 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.846 ' HB2' HG11 ' A' ' 807' ' ' VAL . 30.2 t80 -52.51 -37.78 58.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 123.023 2.647 . . . . 25.0 114.489 174.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -21.77 66.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.23 18.88 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 39.2 t -56.21 -48.66 76.0 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.562 1.172 . . . . 25.0 109.043 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 21.8 mt -60.98 -18.8 59.5 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.741 2.497 . . . . 25.0 117.741 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.34 -39.18 84.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.4 m -79.15 -4.64 51.44 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.332 -0.849 . . . . 25.0 111.792 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.9 -11.37 15.73 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 116.011 -0.54 . . . . 25.0 110.541 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.25 50.9 3.69 Favored Glycine 0 C--O 1.22 -0.749 0 C-N-CA 118.681 -1.724 . . . . 25.0 113.092 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.41 159.92 25.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 118.366 2.728 . . . . 25.0 118.366 -179.706 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -89.49 10.13 23.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.784 0.834 . . . . 25.0 111.132 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.54 171.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.357 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.77 -163.16 12.34 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 105.997 -2.841 . . . . 25.0 105.997 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -84.72 10.14 12.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 117.636 0.718 . . . . 25.0 109.553 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.14 150.74 91.72 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.657 -0.701 . . . . 25.0 109.344 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.09 -22.92 61.35 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.702 -1.065 . . . . 25.0 113.424 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.67 -45.08 13.83 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.61 94.17 Favored Glycine 0 C--O 1.209 -1.433 0 C-N-CA 121.015 -0.612 . . . . 25.0 113.937 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.6 -25.78 66.78 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 118.407 1.104 . . . . 25.0 111.633 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.99 -40.51 46.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -68.28 -38.27 81.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 792' ' ' PHE . . . . . 0.491 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.2 OUTLIER -62.54 -40.87 98.2 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.2 73.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.428 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.5 ttp-105 -62.33 -44.59 96.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.9 mt -67.36 -38.01 80.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -28.22 50.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.089 0.471 . . . . 25.0 110.384 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.0 t -81.0 -29.83 35.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.1 pt -83.1 -25.0 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.595 0.634 . . . . 25.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.559 ' HB ' ' HB1' ' A' ' 811' ' ' ALA . 26.1 m -85.33 16.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-O 122.139 0.971 . . . . 25.0 109.389 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -119.45 53.43 2.33 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.491 175.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.07 -1.4 10.48 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 116.706 -1.73 . . . . 25.0 114.367 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -108.66 -2.11 18.97 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 57.42 40.68 27.18 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -8.19 15.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.518 -1.219 . . . . 25.0 111.36 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.22 26.67 61.3 Favored Glycine 0 C--O 1.238 0.364 0 CA-C-N 116.069 -0.514 . . . . 25.0 112.949 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -142.07 154.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 121.967 -0.725 . . . . 25.0 111.588 -178.715 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.846 HG11 ' HB2' ' A' ' 771' ' ' PHE . 2.3 m -87.36 127.85 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.089 -1.449 . . . . 25.0 107.089 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.76 173.72 6.22 Favored 'General case' 0 C--O 1.185 -2.303 0 O-C-N 124.942 1.401 . . . . 25.0 108.868 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.481 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -54.48 -37.67 65.51 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 114.133 -1.394 . . . . 25.0 112.46 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -14.86 59.05 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.885 -0.326 . . . . 25.0 110.724 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 811' ' ' ALA . . . . . 0.559 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -85.68 -41.49 15.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 122.227 1.013 . . . . 25.0 109.58 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.757 ' HZ ' HD23 ' A' ' 766' ' ' LEU . 59.6 m-85 -51.39 -40.87 60.13 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.45 176.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.54 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.1 mm -62.51 -31.17 51.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.098 0.951 . . . . 25.0 111.427 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.31 -33.44 53.37 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.934 -1.03 . . . . 25.0 110.762 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -83.2 -48.38 10.56 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 120.706 0.289 . . . . 25.0 110.325 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -48.08 -34.67 9.99 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.557 2.058 . . . . 25.0 116.557 -177.519 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.9 t -75.15 -19.63 59.78 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 120.375 -1.453 . . . . 25.0 111.702 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -78.5 -18.15 55.21 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.828 0.451 . . . . 25.0 110.164 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.502 ' HB3' HE21 ' A' ' 856' ' ' GLN . 11.4 tp10 -49.67 -30.39 8.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 124.585 1.154 . . . . 25.0 112.243 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.5 p -68.12 4.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.1 -109.2 0.07 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 122.69 0.396 . . . . 25.0 111.544 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -157.76 142.46 16.48 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.18 145.85 16.86 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.44 -46.64 87.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.596 1.189 . . . . 25.0 111.524 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 13.7 p -72.03 -16.1 62.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.522 -1.217 . . . . 25.0 112.135 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.92 -22.06 65.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.686 0.279 . . . . 25.0 111.5 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.5 -35.28 75.56 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.877 0.846 . . . . 25.0 110.415 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.7 -40.59 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.944 -0.473 . . . . 25.0 111.717 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.47 -29.21 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -19.01 64.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.67 -19.35 1.53 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 78.0 p -54.14 -27.69 35.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.802 0.441 . . . . 25.0 112.117 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 833' ' ' PHE . . . . . 0.433 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -60.01 -23.01 63.32 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 178.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -77.06 -36.03 56.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.992 -1.067 . . . . 25.0 109.071 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.23 -42.56 91.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.45 -46.68 87.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.52 -44.08 88.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.607 0.717 . . . . 25.0 109.305 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.01 -89.72 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.593 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -115.0 -11.69 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -79.76 155.31 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 25.0 111.54 -172.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.6 -0.91 52.52 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.878 1.436 . . . . 25.0 114.878 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.41 ' CD1' ' HB1' ' A' ' 876' ' ' ALA . 36.0 p90 -154.65 161.1 41.73 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 105.849 -1.908 . . . . 25.0 105.849 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.4 tp -110.4 148.43 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.8 p -90.82 150.8 21.42 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.9 mtt -56.25 -30.1 61.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.798 0.332 . . . . 25.0 110.512 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -34.73 79.03 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 122.759 0.424 . . . . 25.0 111.971 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.07 -36.86 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.067 -0.396 . . . . 25.0 110.835 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.16 -41.3 86.25 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 107.405 -1.331 . . . . 25.0 107.405 176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.4 mtp-105 -80.64 32.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.623 0.769 . . . . 25.0 111.114 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -132.6 -33.36 1.24 Allowed 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.752 -1.573 . . . . 25.0 106.752 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.499 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -97.79 -21.51 16.91 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.499 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 12.4 mt -117.87 86.49 25.06 Favored Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.903 0.382 . . . . 25.0 110.682 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.86 -24.02 74.33 Favored 'Trans proline' 0 CA--C 1.576 2.593 0 C-N-CA 114.194 -3.404 . . . . 25.0 117.472 169.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.67 -167.88 0.47 Allowed 'Trans proline' 0 C--N 1.365 1.445 0 N-CA-C 116.876 1.837 . . . . 25.0 116.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.03 -16.33 6.96 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.718 1.377 . . . . 25.0 114.718 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 856' ' ' GLN . . . . . 0.502 HE21 ' HB3' ' A' ' 819' ' ' GLU . 0.9 OUTLIER -60.02 -27.26 66.75 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.619 -0.832 . . . . 25.0 109.143 176.8 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.92 -48.17 77.66 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.864 -0.522 . . . . 25.0 111.607 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.78 -35.14 74.63 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.5 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -51.54 67.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 174.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.37 -43.87 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.393 -0.192 . . . . 25.0 111.298 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.55 -41.29 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.759 0.314 . . . . 25.0 110.254 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.98 79.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.36 -8.45 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.52 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.7 ttm -81.05 153.19 27.51 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.39 -0.819 . . . . 25.0 112.279 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -74.9 139.55 73.48 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 120.443 -0.503 . . . . 25.0 110.941 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.58 92.1 1.04 Allowed 'Trans proline' 0 C--O 1.233 0.268 1 C-N-CA 125.341 4.027 . . . . 25.0 114.403 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.317 -0.813 0 CA-C-O 122.485 1.135 . . . . 25.0 113.313 -178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.472 0 N-CA-C 111.992 -0.443 . . . . 25.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 876' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 842' ' ' TYR . . . -112.86 139.45 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.92 149.9 40.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.94 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 22.6 t0 -88.18 110.27 20.56 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 121.593 0.711 . . . . 25.0 110.567 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 879' ' ' TYR . . . . . 0.433 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 51.9 p90 -70.24 -36.7 74.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.456 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -91.01 -16.39 28.02 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.1 t -114.3 21.14 14.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.4 p90 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 122.032 0.92 . . . . 25.0 113.112 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 121.081 0.467 . . . . 25.0 111.258 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 743' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.0 OUTLIER -116.8 142.26 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 CA-C-O 121.686 0.755 . . . . 25.0 111.639 171.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 83.4 p -97.55 166.58 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.311 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -63.38 -33.65 76.0 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.867 -0.419 . . . . 25.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.95 -40.16 60.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.717 -0.219 . . . . 25.0 111.294 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.8 -40.83 94.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.036 0.446 . . . . 25.0 110.837 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.94 -22.19 58.73 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.198 -1.038 . . . . 25.0 108.198 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -39.19 53.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.679 -0.237 . . . . 25.0 111.114 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.76 -38.1 39.47 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.419 -0.912 . . . . 25.0 109.785 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.435 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 35.9 t80 -67.77 -27.55 66.85 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.701 -0.625 . . . . 25.0 112.626 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.72 -19.82 62.83 Favored 'General case' 0 C--O 1.2 -1.539 0 O-C-N 121.315 -0.865 . . . . 25.0 109.127 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.96 -22.07 63.19 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.454 1.025 . . . . 25.0 110.24 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -16.42 52.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.998 0.427 . . . . 25.0 110.171 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -23.72 43.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.37 -15.61 13.54 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 111.723 0.268 . . . . 25.0 111.723 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -66.04 -49.49 67.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -173.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.423 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.04 1.16 30.68 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.498 -0.319 . . . . 25.0 111.195 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.7 t0 -56.85 103.29 0.11 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.843 0.83 . . . . 50.0 112.04 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.503 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 88.0 mtt-85 -57.55 -35.97 71.02 Favored 'General case' 0 CA--C 1.478 -1.796 0 CA-C-N 114.605 -1.179 . . . . 25.0 113.796 -173.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -115.59 5.57 14.39 Favored 'General case' 0 N--CA 1.439 -0.99 0 O-C-N 123.9 0.75 . . . . 50.0 110.614 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.2 p80 51.64 32.19 8.86 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 76.8 p -66.24 -12.91 59.14 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.18 14.99 55.21 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 108.132 -1.987 . . . . 25.0 108.132 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -157.0 136.33 12.07 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.4 mm? -88.18 130.39 35.07 Favored 'General case' 0 C--O 1.184 -2.347 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.504 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -82.56 -170.46 45.47 Favored Glycine 0 C--O 1.195 -2.316 0 N-CA-C 109.077 -1.609 . . . . 25.0 109.077 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.54 -57.18 0.61 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 CA-C-N 120.884 2.342 . . . . 25.0 115.25 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -70.74 -16.36 62.76 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.212 1.006 . . . . 25.0 109.433 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.1 mt-10 -84.82 -47.66 10.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.386 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CG ' HG21 ' A' ' 807' ' ' VAL . 18.5 t80 -58.4 -42.03 86.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 124.356 1.063 . . . . 25.0 111.922 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -22.13 65.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.928 -178.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.64 -32.69 21.89 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.423 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 42.3 t -62.82 -45.05 94.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.177 0.989 . . . . 25.0 108.613 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.69 -18.83 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 116.24 1.941 . . . . 25.0 116.24 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.33 -40.97 89.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.4 m -79.06 -4.23 49.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.725 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.33 -5.44 19.07 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.234 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.84 51.76 4.39 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 118.545 -1.788 . . . . 25.0 112.171 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.96 164.12 22.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 116.93 2.196 . . . . 25.0 116.93 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -98.02 7.89 45.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.694 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.82 -178.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.087 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -175.54 -165.61 31.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 104.087 -3.605 . . . . 25.0 104.087 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -85.84 25.7 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.736 1.268 . . . . 25.0 109.614 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.18 155.16 84.39 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.753 -1.112 . . . . 25.0 108.973 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -64.68 -26.2 61.12 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.131 -1.446 . . . . 25.0 114.016 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -82.13 -44.7 16.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.296 0.569 . . . . 25.0 109.729 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -71.12 -28.75 69.74 Favored Glycine 0 C--O 1.206 -1.598 0 N-CA-C 116.714 1.445 . . . . 25.0 116.714 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.03 -29.14 70.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 119.25 1.525 . . . . 25.0 110.38 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.27 60.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.798 0.809 . . . . 25.0 109.033 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -73.25 -34.04 65.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.055 -0.975 . . . . 25.0 109.754 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -46.69 82.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.65 71.25 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.437 -0.347 . . . . 25.0 111.529 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.81 -38.44 91.1 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 177.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 8.4 mt -78.13 -37.33 22.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 106.458 -1.682 . . . . 25.0 106.458 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.456 ' HA ' HG12 ' A' ' 799' ' ' VAL . 0.0 OUTLIER -56.45 -23.28 37.81 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 124.295 1.998 . . . . 25.0 111.135 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 11.2 t -81.25 -21.44 39.45 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 112.934 -1.939 . . . . 25.0 113.014 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.4 pt -93.98 -23.79 5.2 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 121.747 2.067 . . . . 25.0 108.23 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 1.003 ' HA ' ' HB1' ' A' ' 811' ' ' ALA 0.338 0.3 OUTLIER -94.94 15.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 110.028 -3.26 . . . . 25.0 110.374 -173.622 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.82 62.65 65.4 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.46 -1.245 . . . . 25.0 108.983 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.9 -2.38 11.4 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 114.792 1.035 . . . . 25.0 114.792 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -107.97 -3.9 18.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 55.26 40.84 31.71 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.085 0.954 . . . . 25.0 112.874 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.409 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -103.02 -6.57 22.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.655 -1.157 . . . . 25.0 109.319 177.458 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.39 19.27 66.87 Favored Glycine 0 CA--C 1.512 -0.129 0 C-N-CA 120.9 -0.666 . . . . 25.0 113.209 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.409 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -137.92 154.27 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 -178.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.638 HG22 HG13 ' A' ' 799' ' ' VAL . 57.7 t -92.74 126.69 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 123.184 0.594 . . . . 25.0 111.569 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 808' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 811' ' ' ALA . 0.1 OUTLIER -107.06 167.77 9.67 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-O 121.722 0.772 . . . . 25.0 111.99 -178.128 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.632 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -62.57 -29.61 70.71 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 118.888 2.922 . . . . 25.0 118.888 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -79.36 -15.27 58.16 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 811' ' ' ALA . . . . . 1.003 ' HB1' ' HA ' ' A' ' 799' ' ' VAL . . . -85.79 -62.35 1.55 Allowed 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.139 -175.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.632 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.0 m-85 -33.65 -35.71 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.946 1.832 . . . . 25.0 115.946 173.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 23.5 mm -58.93 -33.39 49.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.301 0.64 . . . . 25.0 111.238 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.69 -39.66 62.18 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.861 -1.063 . . . . 25.0 109.172 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.25 -46.82 21.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.704 0.684 . . . . 25.0 110.266 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.435 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.67 -31.51 47.95 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 115.181 1.549 . . . . 25.0 115.181 -176.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.8 -19.82 60.04 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.136 -1.603 . . . . 25.0 111.426 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -73.98 -19.32 60.7 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.479 -0.782 . . . . 25.0 110.306 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.507 ' HB3' HE22 ' A' ' 856' ' ' GLN . 10.6 tp10 -49.68 -32.24 12.84 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.283 0.989 . . . . 25.0 111.925 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.8 p -63.75 -2.64 1.86 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.654 1.354 . . . . 25.0 114.654 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -86.97 -145.63 0.12 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.469 ' HB2' HH22 ' A' ' 863' ' ' ARG . 21.7 t0 -128.81 136.39 50.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.36 147.79 33.89 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.18 -38.69 88.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.586 1.184 . . . . 25.0 109.966 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.1 p -75.16 -12.84 60.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.537 -1.21 . . . . 25.0 112.475 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.94 -23.25 65.14 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.81 -36.08 73.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.93 0.871 . . . . 25.0 110.076 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.58 -39.85 80.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.152 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.64 -34.96 30.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 44.6 mtt -69.94 -10.85 60.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.31 58.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.86 -0.525 . . . . 25.0 110.875 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.1 m -59.29 -26.45 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.2 -23.19 67.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.98 -0.45 . . . . 25.0 111.645 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.77 -36.23 75.59 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.473 -0.767 . . . . 25.0 109.173 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.61 -40.94 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -45.48 94.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.955 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.93 87.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.86 0.838 . . . . 25.0 110.546 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 89.72 -107.07 3.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 105.347 -3.101 . . . . 25.0 105.347 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -118.63 2.99 11.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.582 1.191 . . . . 25.0 113.73 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 18.6 ptmt -76.66 148.64 36.74 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.679 -1.6 . . . . 25.0 106.679 -176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.03 -7.08 53.84 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.78 1.4 . . . . 25.0 114.78 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -140.0 163.07 33.67 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.6 tp -115.79 149.0 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 104.953 -2.24 . . . . 25.0 104.953 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.5 p -86.69 152.51 22.49 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.5 mtt -53.75 -35.6 61.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.489 0.661 . . . . 25.0 109.567 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.17 -29.15 63.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.672 0.99 . . . . 25.0 113.672 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.51 -39.18 81.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.88 -38.82 89.79 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.45 27.95 0.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.214 0.606 . . . . 25.0 110.622 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -127.83 -35.13 2.11 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.51 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.2 pt-20 -96.42 -23.75 16.45 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.51 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.3 mt -116.63 84.65 15.5 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 122.627 0.371 . . . . 25.0 110.831 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.76 -24.21 74.59 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 C-N-CA 114.788 -3.008 . . . . 25.0 116.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.85 -171.17 1.11 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 116.167 -2.089 . . . . 25.0 116.317 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -58.9 -15.57 13.39 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 114.727 -1.124 . . . . 25.0 112.578 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 856' ' ' GLN . . . . . 0.507 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.1 mm-40 -52.04 -34.96 45.67 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.1 -54.69 41.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.911 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -69.23 -33.91 74.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -52.54 64.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -64.56 -42.02 95.94 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.399 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.3 mt -58.32 -42.23 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.01 0.524 . . . . 25.0 110.476 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.26 -31.5 72.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 863' ' ' ARG . . . . . 0.469 HH22 ' HB2' ' A' ' 822' ' ' ASP . 0.0 OUTLIER -95.23 -10.09 31.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.709 0.766 . . . . 25.0 113.006 -178.812 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.491 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.7 ttm -76.95 159.5 29.92 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.234 0.827 . . . . 25.0 113.234 -176.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.87 131.0 89.54 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.089 -175.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.78 88.29 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 124.011 3.141 . . . . 25.0 115.507 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 178.077 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.829 0 CA-C-O 119.33 -0.705 . . . . 25.0 112.265 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 134.88 54.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.05 146.11 35.11 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 11.6 t0 -82.24 111.81 18.66 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.146 -0.621 . . . . 25.0 110.459 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -68.35 -35.68 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.29 -0.868 . . . . 25.0 112.299 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -94.06 -24.96 17.39 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.4 t -98.25 15.72 23.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.395 -0.594 . . . . 25.0 109.395 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.491 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.1 p90 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 114.98 -1.009 . . . . 25.0 112.894 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.543 0.702 0 N-CA-C 118.966 2.951 . . . . 25.0 118.966 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 743' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -68.14 153.78 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 113.715 -1.584 . . . . 25.0 113.61 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.8 t -96.35 158.53 15.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -64.4 -27.89 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 25.0 109.861 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -81.15 -38.33 27.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 747' ' ' GLN . . . . . 0.463 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 42.1 tp60 -60.96 -40.8 94.76 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.861 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.442 ' HE2' HG21 ' A' ' 813' ' ' ILE . 5.8 ptp -73.81 -21.0 60.29 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -44.24 25.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.266 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.13 -36.91 58.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -70.87 -24.43 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.696 -0.628 . . . . 25.0 112.59 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.28 -21.35 66.19 Favored 'General case' 0 C--O 1.198 -1.635 0 O-C-N 121.098 -1.001 . . . . 25.0 108.73 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.71 -22.5 64.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.069 0.849 . . . . 25.0 110.185 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -15.2 56.58 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.111 -0.368 . . . . 25.0 110.542 177.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -23.09 49.69 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.12 0.785 . . . . 25.0 113.12 174.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -115.6 -14.71 11.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.643 0.259 . . . . 25.0 111.588 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.85 -51.66 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.9 3.05 33.28 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 120.737 0.303 . . . . 25.0 110.639 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -57.07 104.51 0.16 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.299 1.047 . . . . 50.0 112.118 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.527 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 41.9 ttt180 -50.15 -35.86 27.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 112.953 -1.931 . . . . 25.0 112.976 -176.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -123.5 1.98 8.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.956 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 61.47 29.65 18.49 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 50.5 p -70.33 -9.78 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.04 19.39 59.31 Favored Glycine 0 CA--C 1.511 -0.2 0 N-CA-C 107.611 -2.195 . . . . 25.0 107.611 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -155.7 136.25 13.31 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.942 -1.129 . . . . 25.0 109.584 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.401 HD23 ' CZ ' ' A' ' 812' ' ' PHE . 4.6 mm? -99.27 126.15 45.04 Favored 'General case' 0 C--O 1.201 -1.468 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.462 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -81.26 -167.43 38.24 Favored Glycine 0 C--O 1.199 -2.062 0 N-CA-C 109.594 -1.402 . . . . 25.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -62.87 -57.39 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.554 0 CA-C-N 120.633 2.217 . . . . 25.0 113.943 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.73 -17.35 64.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.562 0.696 . . . . 25.0 110.875 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.527 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.0 mt-10 -88.62 -45.83 9.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.701 -0.681 . . . . 50.0 110.087 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.473 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.9 t80 -59.45 -40.64 87.48 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.575 0.75 . . . . 25.0 110.53 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -22.77 66.33 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.251 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.49 -36.08 20.78 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.84 -48.33 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.27 -18.91 41.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 116.392 1.997 . . . . 25.0 116.392 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.25 -39.06 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 43.3 m -76.05 -8.54 57.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.88 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.01 -19.82 15.67 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 116.398 -0.365 . . . . 25.0 110.517 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.85 3.7 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 118.862 -1.637 . . . . 25.0 110.972 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.97 164.03 4.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.436 2.013 . . . . 25.0 116.436 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -96.56 17.67 15.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.861 0.838 . . . . 25.0 110.541 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.89 -177.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.65 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.33 20.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 104.863 -3.295 . . . . 25.0 104.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -91.91 22.45 4.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.27 1.035 . . . . 25.0 108.207 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.55 152.26 87.44 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.27 -25.41 64.59 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 117.948 -0.901 . . . . 25.0 113.854 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.82 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.56 84.61 Favored Glycine 0 C--O 1.206 -1.638 0 C-N-CA 120.69 -0.767 . . . . 25.0 114.766 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.99 -27.71 68.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.084 1.442 . . . . 25.0 111.211 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.36 -41.22 48.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.18 -36.01 76.89 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.429 -0.805 . . . . 25.0 109.967 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.49 -44.89 92.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.87 74.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.842 -0.343 . . . . 25.0 111.274 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -62.13 -39.23 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.18 -42.58 58.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.125 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -24.91 40.78 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.16 0.505 . . . . 25.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 29.4 t -81.58 -18.47 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 25.0 112.162 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -102.02 -23.4 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.736 1.013 . . . . 25.0 113.736 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.539 HG23 HG22 ' A' ' 807' ' ' VAL . 30.0 m -93.2 23.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 25.0 112.141 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.31 64.14 26.5 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 122.067 0.937 . . . . 25.0 108.985 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 -4.29 8.13 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.507 1.472 . . . . 25.0 115.275 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -106.73 -0.94 23.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 54.22 42.51 31.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.81 1.244 . . . . 25.0 113.938 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 804' ' ' LEU . 0.2 OUTLIER -105.16 -6.66 19.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.64 -1.618 . . . . 25.0 110.819 177.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.93 66.41 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.843 -0.694 . . . . 25.0 113.726 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.39 153.55 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.539 HG22 HG23 ' A' ' 799' ' ' VAL . 45.1 t -89.87 125.68 42.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 N-CA-C 110.385 -0.228 . . . . 25.0 110.385 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 4.6 p -103.77 168.65 9.0 Favored 'General case' 0 CA--C 1.494 -1.189 0 O-C-N 124.16 0.912 . . . . 25.0 111.791 -177.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.554 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 7.1 p90 -50.62 -47.31 58.36 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 115.86 1.8 . . . . 25.0 115.86 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -16.42 63.14 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.736 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.28 -37.95 16.72 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 114.993 -1.003 . . . . 25.0 110.616 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.554 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 59.1 m-85 -57.54 -33.58 68.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.949 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.442 HG21 ' HE2' ' A' ' 748' ' ' MET . 8.8 mm -60.41 -32.98 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.428 -0.806 . . . . 25.0 111.766 -176.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.93 -49.53 29.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.059 -0.973 . . . . 25.0 110.263 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -73.78 -42.07 61.54 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-O 121.705 0.764 . . . . 25.0 110.66 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.513 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.82 -27.85 53.35 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 114.621 1.341 . . . . 25.0 114.621 -178.683 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 23.9 t -85.87 -19.67 30.23 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.544 -1.347 . . . . 25.0 111.318 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.5 -22.25 64.54 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.114 0.483 . . . . 25.0 109.986 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.536 ' HB3' HE21 ' A' ' 856' ' ' GLN . 17.4 tp10 -54.73 -15.84 2.13 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.884 1.674 . . . . 25.0 114.264 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 34.5 p -70.39 1.61 4.8 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.739 -0.601 . . . . 25.0 112.483 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -122.67 154.23 38.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -79.8 163.85 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.067 0.765 . . . . 25.0 113.067 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.15 163.85 31.86 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.38 -37.92 89.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.201 1.0 . . . . 25.0 110.024 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 17.1 p -72.48 -14.92 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.269 -0.878 . . . . 25.0 111.879 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.23 -26.85 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.059 0.225 . . . . 25.0 111.373 -176.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.02 -28.86 66.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 25.0 111.437 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -84.41 -42.21 15.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.775 -0.578 . . . . 25.0 111.97 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.0 p -76.02 -29.7 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.283 -174.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.68 -13.53 54.58 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.922 -0.486 . . . . 25.0 111.205 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.02 -26.09 65.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.1 p -62.96 -26.32 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.794 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.67 -24.69 67.76 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 122.092 -0.38 . . . . 25.0 110.658 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -71.92 -36.07 69.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.402 -0.811 . . . . 25.0 109.223 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.82 -40.64 76.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.273 -1.38 . . . . 25.0 107.273 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -40.06 94.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 25.0 110.026 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.43 66.0 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.431 1.11 . . . . 25.0 111.597 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.39 -83.05 1.12 Allowed Glycine 0 C--O 1.185 -2.937 0 CA-C-O 122.369 0.983 . . . . 25.0 113.624 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -114.6 -28.46 7.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.681 -1.259 . . . . 25.0 112.663 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -84.7 165.73 17.63 Favored 'General case' 0 N--CA 1.422 -1.842 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -91.73 1.86 56.88 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 124.355 1.062 . . . . 25.0 112.94 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -136.42 163.38 30.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 105.733 -1.951 . . . . 25.0 105.733 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -120.74 150.86 23.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 105.242 -2.132 . . . . 25.0 105.242 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.3 p -92.6 153.48 18.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.8 mtt -55.55 -32.74 63.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 120.998 0.428 . . . . 25.0 110.152 173.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.7 -37.03 84.85 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 123.338 0.655 . . . . 25.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.81 -37.43 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.672 0.273 . . . . 25.0 111.355 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.48 -36.6 73.95 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -81.42 30.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.97 -0.559 . . . . 25.0 110.551 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -132.62 -40.37 0.97 Allowed 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.531 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 20.9 pt-20 -91.94 -20.74 21.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.405 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.531 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 7.6 mt -122.26 87.58 48.24 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 122.791 0.436 . . . . 25.0 111.2 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.54 -25.68 79.77 Favored 'Trans proline' 0 CA--C 1.578 2.685 0 C-N-CA 114.345 -3.303 . . . . 25.0 118.258 171.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 57.8 Cg_endo -79.77 -169.3 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 118.226 2.356 . . . . 25.0 118.226 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.5 -21.63 6.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.596 -1.638 . . . . 25.0 112.459 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 856' ' ' GLN . . . . . 0.536 HE21 ' HB3' ' A' ' 819' ' ' GLU . 41.6 mt-30 -56.71 -36.61 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.246 -0.284 . . . . 25.0 110.72 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.133 0.492 . . . . 25.0 111.308 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.41 -31.76 60.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -50.18 71.33 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 85.8 m -63.07 -45.07 93.88 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.114 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.2 mt -59.0 -41.65 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.957 0.408 . . . . 25.0 110.916 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.44 91.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.748 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -12.24 46.03 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.28 0.474 . . . . 25.0 112.28 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -75.14 153.13 38.39 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.934 -0.479 . . . . 25.0 110.946 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.33 134.83 88.93 Favored Pre-proline 0 C--O 1.222 -0.392 0 C-N-CA 120.512 -0.475 . . . . 25.0 110.395 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.12 92.63 1.05 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.811 2.341 . . . . 25.0 114.206 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.914 0.864 . . . . 25.0 108.742 178.706 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.791 0 N-CA-C 111.001 -0.839 . . . . 25.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 140.25 47.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 5.8 mt -141.94 152.06 43.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 25.0 111.622 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 25.1 t0 -89.35 108.32 19.57 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 25.0 109.947 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -65.05 -39.27 93.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.405 -1.271 . . . . 25.0 110.696 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -89.04 -30.47 18.68 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.4 t -97.56 19.03 14.12 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.923 -0.485 . . . . 25.0 111.088 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 5.9 p90 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 116.067 1.877 . . . . 25.0 116.067 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 116.895 2.183 . . . . 25.0 116.895 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 743' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.2 OUTLIER -65.01 150.64 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.562 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.1 t -97.51 158.68 15.36 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.863 0.465 . . . . 25.0 110.689 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.51 69.04 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.014 -0.539 . . . . 25.0 109.923 176.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.11 -37.68 33.14 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.286 -0.259 . . . . 25.0 110.562 177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.185 0.517 . . . . 25.0 110.559 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.44 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.6 ptp -72.32 -21.06 61.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -39.2 23.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.91 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.4 -38.98 59.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 35.2 t80 -68.98 -28.69 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -19.67 60.7 Favored 'General case' 0 C--O 1.197 -1.688 0 O-C-N 121.231 -0.918 . . . . 25.0 109.797 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.54 -22.27 65.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.073 0.852 . . . . 25.0 110.325 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.6 t -63.93 -14.82 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.848 -0.533 . . . . 25.0 110.485 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -22.9 43.97 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 173.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.96 -17.36 12.9 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 111.918 0.34 . . . . 25.0 111.918 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -62.85 -53.65 50.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.05 3.02 32.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.156 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 766' ' ' LEU . 20.1 t0 -56.67 104.42 0.15 Allowed 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 122.711 1.244 . . . . 50.0 112.327 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.447 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 41.6 ttt180 -55.43 -30.17 59.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.775 -2.011 . . . . 25.0 113.389 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.52 3.6 7.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 57.38 38.43 28.38 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.981 0.896 . . . . 25.0 112.947 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.4 p -78.71 -8.39 58.66 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.84 -0.537 . . . . 25.0 112.314 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.64 63.02 Favored Glycine 0 C--O 1.23 -0.132 0 N-CA-C 107.928 -2.069 . . . . 25.0 107.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.58 136.32 12.49 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 114.102 -1.049 . . . . 25.0 109.996 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -98.26 125.03 43.17 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.469 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -80.91 -169.29 41.09 Favored Glycine 0 C--O 1.191 -2.593 0 N-CA-C 109.234 -1.547 . . . . 25.0 109.234 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -59.85 -59.81 0.36 Allowed 'Trans proline' 0 C--N 1.329 -0.467 0 CA-C-N 121.504 2.652 . . . . 25.0 114.016 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.45 -16.82 64.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 25.0 110.955 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 9.8 mt-10 -89.62 -45.59 9.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 120.109 -0.636 . . . . 50.0 110.018 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.45 ' CG ' HG21 ' A' ' 807' ' ' VAL . 24.7 t80 -59.14 -39.43 82.37 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 124.24 1.016 . . . . 25.0 110.961 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -23.15 65.83 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.936 -0.575 . . . . 25.0 110.438 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.58 -34.13 21.53 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.1 -46.8 89.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.724 0.773 . . . . 25.0 109.372 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.37 -18.83 60.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 116.451 2.019 . . . . 25.0 116.451 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.55 -38.28 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -73.74 -7.8 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.649 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.2 -5.58 15.88 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 123.371 0.42 . . . . 25.0 110.342 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 75.25 44.87 21.32 Favored Glycine 0 C--O 1.221 -0.658 0 C-N-CA 118.294 -1.907 . . . . 25.0 111.515 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.07 162.72 0.26 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 120.866 3.654 . . . . 25.0 120.866 -178.306 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 781' ' ' ASP . . . . . 0.544 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.0 t0 -85.0 9.98 13.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.008 1.723 . . . . 25.0 110.643 -175.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.0 169.84 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.247 -0.888 . . . . 25.0 108.663 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.4 -168.12 17.37 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 107.982 -2.047 . . . . 25.0 107.982 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.33 48.45 1.4 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -109.51 153.79 42.66 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.886 -1.052 . . . . 25.0 109.142 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.21 -25.52 57.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 116.859 -1.627 . . . . 25.0 112.926 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.31 -43.25 19.38 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.519 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.45 -31.51 68.35 Favored Glycine 0 C--O 1.213 -1.161 0 C-N-CA 120.141 -1.028 . . . . 25.0 114.24 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.4 -27.47 68.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.118 0.959 . . . . 25.0 109.778 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.84 -40.45 47.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -70.85 -36.0 72.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -49.25 72.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 174.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.82 74.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.109 0.481 . . . . 25.0 111.637 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.77 -41.81 98.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.4 mt -71.77 -41.66 70.29 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -27.53 31.43 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.168 0.508 . . . . 25.0 110.937 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.59 -32.33 53.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.907 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.8 pt -85.57 -23.48 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.691 -0.631 . . . . 25.0 111.946 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.551 HG23 HG22 ' A' ' 807' ' ' VAL . 33.5 m -92.42 24.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.974 0.893 . . . . 25.0 110.56 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -124.62 62.86 34.87 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 121.909 0.861 . . . . 25.0 110.373 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.0 -0.22 6.79 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 N-CA-C 115.068 1.142 . . . . 25.0 115.068 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.47 -2.76 14.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 37.9 25.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.11 0.964 . . . . 25.0 112.789 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.494 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.33 -7.23 18.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.572 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.19 62.31 Favored Glycine 0 C--N 1.323 -0.147 0 C-N-CA 121.204 -0.522 . . . . 25.0 113.407 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.494 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.83 152.19 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -178.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.551 HG22 HG23 ' A' ' 799' ' ' VAL . 47.9 t -93.89 128.43 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.6 166.93 10.52 Favored 'General case' 0 C--O 1.206 -1.208 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.501 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -48.49 -42.42 32.76 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 114.881 1.438 . . . . 25.0 114.881 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -15.46 59.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.441 0.639 . . . . 25.0 110.55 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 811' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -90.19 -37.02 14.44 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.26 -0.882 . . . . 25.0 111.457 -177.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.501 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 68.5 m-85 -58.17 -31.81 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 25.0 111.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.44 HG21 ' HE1' ' A' ' 748' ' ' MET . 10.3 mm -61.53 -31.97 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.52 0.676 . . . . 25.0 111.363 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -50.95 -45.22 60.63 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.578 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.544 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.2 t80 -74.01 -43.18 58.88 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 121.545 0.688 . . . . 25.0 110.743 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -56.15 -28.61 58.65 Favored 'General case' 0 C--O 1.207 -1.138 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 28.2 t -85.86 -19.85 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 120.153 -1.592 . . . . 25.0 110.911 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.08 -27.82 61.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.49 ' HB3' HE22 ' A' ' 856' ' ' GLN . 4.8 tt0 -57.4 -16.39 9.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.611 1.564 . . . . 25.0 113.789 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 55.2 p -71.07 -4.31 24.39 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.76 -0.587 . . . . 25.0 111.88 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.54 146.25 24.23 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.32 139.13 54.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.541 -0.299 . . . . 25.0 110.202 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.86 152.75 40.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.57 -47.16 79.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.416 1.103 . . . . 25.0 110.499 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -15.78 63.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.532 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.16 65.77 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 111.836 0.309 . . . . 25.0 111.836 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -57.02 -36.34 70.33 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.105 0.955 . . . . 25.0 109.947 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -67.06 -38.88 86.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.222 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.63 -36.07 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 92.6 mtp -68.03 -14.76 63.22 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.513 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.88 -19.4 1.73 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 112.463 0.542 . . . . 25.0 112.463 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 81.3 p -53.34 -28.24 27.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.152 0.581 . . . . 25.0 112.244 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' PHE . . . . . 0.411 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.3 OUTLIER -60.31 -24.1 64.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.632 0.651 . . . . 25.0 112.312 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -77.78 -36.02 50.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 121.118 -0.989 . . . . 25.0 108.835 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.08 -43.32 85.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.76 -46.19 89.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.8 94.25 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.0 -96.84 1.6 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 108.388 -1.885 . . . . 25.0 108.388 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.17 1.71 11.37 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -81.21 155.07 26.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -87.72 2.36 51.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.977 1.473 . . . . 25.0 114.977 -175.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -148.77 161.77 41.12 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 105.773 -1.936 . . . . 25.0 105.773 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.4 tp -114.15 153.62 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 68.9 p -92.82 151.36 20.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.4 mtt -57.13 -32.61 66.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.358 0.599 . . . . 25.0 109.472 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.85 -33.38 75.49 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.575 -0.739 . . . . 25.0 112.453 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.09 -40.46 78.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.25 -40.24 90.06 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -76.12 13.8 0.83 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.014 -0.539 . . . . 25.0 112.401 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -111.04 -36.47 5.63 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.97 -29.96 21.64 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.23 93.12 48.81 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 25.0 110.811 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.88 -21.67 63.96 Favored 'Trans proline' 0 CA--C 1.579 2.757 0 C-N-CA 114.441 -3.239 . . . . 25.0 118.144 169.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -84.61 -165.45 0.3 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 N-CA-C 117.365 2.025 . . . . 25.0 117.365 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.56 -26.45 5.28 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.8 1.64 . . . . 25.0 112.446 174.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 856' ' ' GLN . . . . . 0.49 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.0 mm-40 -54.96 -36.2 65.07 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.153 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.01 63.77 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.713 -0.617 . . . . 25.0 112.48 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.29 -31.41 68.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.05 0.452 . . . . 25.0 110.645 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -54.78 39.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 172.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 95.8 m -61.78 -41.5 97.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.671 -0.241 . . . . 25.0 111.085 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 40.7 mt -60.07 -41.17 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.017 0.437 . . . . 25.0 110.421 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.02 -32.42 73.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -92.11 -9.88 40.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.975 0.417 . . . . 25.0 111.285 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.54 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.8 ttm -79.16 154.1 29.56 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.319 -0.863 . . . . 25.0 112.86 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.647 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -73.69 138.13 77.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.831 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 94.61 1.02 Allowed 'Trans proline' 0 CA--C 1.529 0.23 1 C-N-CA 126.039 4.493 . . . . 25.0 115.488 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 121.501 0.667 . . . . 25.0 112.591 179.283 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 N-CA-C 111.385 -0.686 . . . . 25.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -113.04 139.67 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -142.03 152.21 43.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.727 -0.215 . . . . 25.0 111.46 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 26.1 t0 -88.75 106.09 18.13 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.416 0.627 . . . . 25.0 110.126 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 879' ' ' TYR . . . . . 0.411 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 46.0 p90 -69.82 -31.43 69.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 114.891 -1.05 . . . . 25.0 112.454 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -94.0 -18.44 21.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 16.0 t -110.9 19.14 18.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.54 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 9.1 p90 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.033 -0.985 . . . . 25.0 113.385 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 117.467 2.395 . . . . 25.0 117.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 145.75 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 O-C-N 120.902 -1.123 . . . . 25.0 111.585 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.3 p -97.88 164.43 12.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.146 0.498 . . . . 25.0 110.231 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.79 -31.69 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.227 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.74 -35.55 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.285 -0.566 . . . . 25.0 110.627 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -60.08 -42.68 95.12 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 121.127 0.489 . . . . 25.0 110.302 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.623 ' HE2' HG21 ' A' ' 813' ' ' ILE . 3.9 ptp -73.45 -21.04 60.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.19 -0.671 . . . . 25.0 109.19 -177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.93 -39.91 20.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.24 -175.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -38.03 54.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.405 -0.961 . . . . 25.0 108.405 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 53.2 t80 -69.83 -25.5 63.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.46 64.76 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 120.974 -1.079 . . . . 25.0 109.062 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.57 -19.99 62.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.256 0.48 . . . . 25.0 109.836 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 4.3 t -63.1 -15.68 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.865 0.364 . . . . 25.0 110.566 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -23.36 31.0 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.014 1.116 . . . . 25.0 114.014 173.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -112.93 -15.97 12.78 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 120.713 0.292 . . . . 25.0 111.409 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -62.53 -51.31 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.01 1.28 30.91 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.856 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.425 ' HA ' HD13 ' A' ' 766' ' ' LEU . 14.6 t0 -55.32 103.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.715 1.245 . . . . 50.0 113.225 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.435 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 77.1 ttt180 -55.87 -30.88 62.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.013 -1.903 . . . . 25.0 113.504 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -121.74 -0.64 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.54 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 58.58 36.23 25.02 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.2 p -74.26 -9.31 58.48 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 176.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.16 15.36 60.88 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.607 -1.797 . . . . 25.0 108.607 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.91 136.29 12.13 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.482 ' HB2' ' HZ ' ' A' ' 812' ' ' PHE . 4.6 mm? -88.55 141.71 28.3 Favored 'General case' 0 C--O 1.206 -1.237 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 767' ' ' GLY . . . . . 0.505 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -91.77 -167.42 40.39 Favored Glycine 0 C--O 1.207 -1.564 0 N-CA-C 107.127 -2.389 . . . . 25.0 107.127 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -64.03 -62.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.6 0 CA-C-N 120.138 1.969 . . . . 25.0 113.691 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -64.26 -16.99 63.17 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.675 0.75 . . . . 25.0 110.579 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 5.3 mt-10 -87.6 -47.01 9.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.876 -0.602 . . . . 50.0 111.089 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.661 ' CD2' HG11 ' A' ' 807' ' ' VAL . 1.3 t80 -64.87 -31.48 72.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.914 -1.116 . . . . 25.0 110.399 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -21.91 62.75 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.74 -34.85 22.78 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.59 -49.56 76.12 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' A' ' 771' ' ' PHE . 10.0 mt -60.81 -18.21 54.13 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 115.752 1.76 . . . . 25.0 115.752 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.59 -39.6 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.5 m -76.79 -8.29 57.03 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.379 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.07 -15.72 16.65 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.252 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.93 51.91 2.02 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 118.947 -1.597 . . . . 25.0 111.375 177.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.59 158.07 30.78 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.28 2.696 . . . . 25.0 118.28 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 781' ' ' ASP . . . . . 0.449 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 30.2 t0 -84.46 10.85 9.75 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.985 1.714 . . . . 25.0 111.967 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.3 171.16 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.21 -0.904 . . . . 25.0 108.625 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.06 -165.39 12.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.651 -0.979 . . . . 25.0 110.651 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -85.61 48.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.351 0.596 . . . . 25.0 110.526 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.33 152.41 54.89 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.68 -21.96 44.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 117.943 -0.905 . . . . 25.0 111.357 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.36 -46.66 59.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.69 -31.22 73.07 Favored Glycine 0 C--O 1.205 -1.657 0 C-N-CA 120.773 -0.727 . . . . 25.0 112.408 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -63.66 -30.25 71.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 118.138 0.969 . . . . 25.0 110.571 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -73.76 -40.6 63.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -71.46 -36.04 71.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.089 -0.959 . . . . 25.0 109.779 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.95 98.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.01 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.2 -0.296 . . . . 25.0 110.2 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -65.99 -43.06 88.89 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.449 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.68 -44.33 89.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.53 43.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.51 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 35.6 t -84.17 -18.42 36.76 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 24.1 pt -95.26 -22.34 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.822 -0.549 . . . . 25.0 111.062 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.568 ' HB ' ' HB1' ' A' ' 811' ' ' ALA . 36.0 m -93.94 19.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -115.7 62.8 2.0 Allowed Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.619 -0.675 . . . . 25.0 109.941 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.65 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.355 0.902 0 CA-C-O 121.642 0.601 . . . . 25.0 112.581 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -98.97 -2.26 37.86 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 106.977 -1.49 . . . . 25.0 106.977 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 53.3 37.42 25.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.11 1.364 . . . . 25.0 114.169 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -10.85 23.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.983 -1.462 . . . . 25.0 110.591 176.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 73.07 24.01 76.64 Favored Glycine 0 N--CA 1.462 0.403 0 CA-C-O 121.754 0.641 . . . . 25.0 113.708 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.28 163.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 1 N-CA-C 100.146 -4.02 . . . . 25.0 100.146 177.255 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.661 HG11 ' CD2' ' A' ' 771' ' ' PHE . 97.7 t -97.97 116.68 41.25 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.31 1 CA-C-O 81.093 -18.575 . . . . 25.0 116.808 -167.612 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 808' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 811' ' ' ALA . 0.7 OUTLIER -117.59 178.78 4.27 Favored 'General case' 0 C--N 1.261 -3.281 2 O-C-N 77.812 -28.055 . . . . 25.0 102.146 -160.232 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -48.89 -41.37 33.2 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 115.179 1.548 . . . . 25.0 115.179 176.46 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -15.5 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.283 0.563 . . . . 25.0 110.24 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 811' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -91.56 -39.65 11.79 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.098 -176.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.636 ' CE1' ' HD2' ' A' ' 771' ' ' PHE . 61.9 m-85 -54.25 -32.08 55.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.065 -0.971 . . . . 25.0 112.531 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.623 HG21 ' HE2' ' A' ' 748' ' ' MET . 13.3 mm -57.1 -34.77 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.541 0.686 . . . . 25.0 110.355 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -46.59 -51.6 15.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.695 -1.139 . . . . 25.0 110.247 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.449 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.8 t80 -71.39 -42.62 68.15 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.418 -0.513 . . . . 25.0 111.201 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.479 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -54.62 -33.12 60.0 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.4 t -79.49 -19.87 48.66 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 120.252 -1.53 . . . . 25.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -79.01 -21.6 46.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.0 -4.91 1.15 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.188 1.395 . . . . 25.0 113.091 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 p -76.25 -6.64 52.32 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.49 -0.756 . . . . 25.0 110.156 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -104.91 148.19 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -89.53 157.0 18.26 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -175.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.04 163.74 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.17 -0.923 . . . . 25.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.6 -38.78 78.71 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.656 1.217 . . . . 25.0 109.736 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.0 p -75.4 -18.07 60.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.772 -1.104 . . . . 25.0 112.042 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.59 -19.34 63.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.768 0.318 . . . . 25.0 110.876 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.12 -38.31 79.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.54 -29.61 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 98.8 mtp -64.63 -9.68 21.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.408 0.521 . . . . 25.0 112.408 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.92 63.61 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.641 -0.662 . . . . 25.0 111.325 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -59.16 -26.3 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.313 0.578 . . . . 25.0 111.16 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.98 -23.37 66.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 834' ' ' LYS . . . . . 0.404 ' HD2' ' CE1' ' A' ' 879' ' ' TYR . 7.4 tptt -72.37 -36.44 68.74 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.187 -0.946 . . . . 25.0 108.823 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.34 -42.53 93.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.24 -46.83 88.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.589 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.67 91.65 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.698 0.761 . . . . 25.0 110.019 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.74 -87.79 1.05 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.739 -0.743 . . . . 25.0 111.775 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.02 -16.83 11.6 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 16.3 ptmt -76.1 154.1 35.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 25.0 110.774 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -81.22 -5.27 57.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.973 1.101 . . . . 25.0 113.973 -176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 842' ' ' TYR . . . . . 0.437 ' CD1' ' HB1' ' A' ' 876' ' ' ALA . 34.6 p90 -147.18 164.17 34.0 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.7 tp -115.14 148.17 18.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.1 p -88.85 150.98 22.63 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 49.8 mtt -55.18 -30.84 60.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 25.0 111.143 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.43 -37.11 79.96 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.691 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.07 -35.05 78.99 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 109.964 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.78 -42.13 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -75.49 16.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.594 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -107.12 -32.41 7.84 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.1 -28.46 12.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.879 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 857' ' ' ALA . 0.0 OUTLIER -114.24 84.54 9.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.243 -0.28 . . . . 25.0 110.243 176.244 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -63.8 -22.84 69.26 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 C-N-CA 113.452 -3.899 . . . . 25.0 117.148 167.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -81.79 -168.43 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.531 0 N-CA-C 116.139 1.553 . . . . 25.0 116.139 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -26.3 6.42 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.386 1.254 . . . . 25.0 114.386 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -57.06 -31.21 64.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.391 -0.193 . . . . 25.0 110.518 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -64.42 -46.86 81.38 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.477 -0.764 . . . . 25.0 111.349 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.42 -30.96 57.64 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 119.909 -0.716 . . . . 25.0 112.773 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -51.6 60.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 170.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.25 -42.51 93.23 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.993 -0.549 . . . . 25.0 110.983 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.4 -40.35 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 122.746 0.419 . . . . 25.0 110.389 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.65 96.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.181 0.515 . . . . 25.0 111.676 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -77.8 -18.06 56.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.905 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.581 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.3 ttm -72.82 147.97 44.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.601 1.334 . . . . 25.0 114.601 -175.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -70.14 139.85 87.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.993 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.29 92.89 1.1 Allowed 'Trans proline' 0 C--O 1.234 0.301 1 C-N-CA 125.97 4.446 . . . . 25.0 114.614 -175.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 122.414 1.102 . . . . 25.0 113.794 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 112.033 -0.427 . . . . 25.0 112.033 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 876' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 842' ' ' TYR . . . -112.86 136.64 52.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.94 -1.134 . . . . 25.0 107.94 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.93 154.3 44.98 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.446 ' HB2' ' CE1' ' A' ' 867' ' ' TYR . 18.5 t0 -87.74 108.84 19.31 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.467 0.651 . . . . 25.0 111.874 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 879' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' A' ' 834' ' ' LYS . 33.0 p90 -64.27 -34.83 79.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.705 -1.134 . . . . 25.0 112.276 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -98.67 -19.28 17.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.2 t -108.84 18.91 20.24 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.004 0.431 . . . . 25.0 110.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.581 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 122.23 1.014 . . . . 25.0 113.568 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.23 147.81 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 744' ' ' SER . . . . . 0.53 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 7.4 t -97.54 167.02 11.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.344 0.592 . . . . 25.0 110.477 176.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -65.05 -30.14 71.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 25.0 109.748 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -75.95 -40.85 53.15 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -59.66 -40.78 88.87 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.822 0.344 . . . . 25.0 110.617 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 748' ' ' MET . . . . . 0.416 ' HE2' HG21 ' A' ' 813' ' ' ILE . 5.1 ptp -74.21 -21.41 59.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.91 -30.47 26.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.359 0.503 . . . . 25.0 112.359 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.47 -39.51 18.83 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.49 -0.756 . . . . 25.0 109.701 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.4 t80 -67.87 -25.48 65.54 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.304 0.853 . . . . 25.0 113.304 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -19.65 46.79 Favored 'General case' 0 C--O 1.198 -1.622 0 O-C-N 121.474 -0.767 . . . . 25.0 110.181 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.56 60.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.188 0.904 . . . . 25.0 110.046 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.6 t -62.14 -15.77 48.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.257 0.551 . . . . 25.0 109.869 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -24.05 54.59 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -108.81 -6.08 15.99 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 120.746 0.308 . . . . 25.0 110.846 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -70.93 -54.43 11.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.559 0.577 . . . . 25.0 112.559 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 758' ' ' PHE . . . . . 0.42 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 3.4 m-85 -103.19 4.2 36.55 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 759' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 14.9 t0 -56.09 100.8 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.935 1.35 . . . . 50.0 112.171 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 63.5 ttt180 -60.48 -33.76 73.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 112.771 -2.013 . . . . 25.0 112.998 -171.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -115.62 1.49 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 50.0 109.634 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . 0.256 31.8 p-80 51.72 33.21 10.61 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.533 1.679 . . . . 25.0 115.533 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 55.1 p -64.62 -17.27 63.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.867 0.867 . . . . 25.0 112.594 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 98.85 11.47 46.56 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 108.346 -1.901 . . . . 25.0 108.346 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.34 138.91 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 766' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.3 mm? -89.13 125.54 35.08 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.11 -167.74 38.56 Favored Glycine 0 C--O 1.194 -2.396 0 N-CA-C 109.054 -1.619 . . . . 25.0 109.054 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -61.11 -60.98 0.19 Allowed 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-N 120.921 2.361 . . . . 25.0 114.192 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -16.82 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.927 0.87 . . . . 25.0 110.394 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 13.7 mt-10 -87.84 -45.66 10.1 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.931 -0.577 . . . . 50.0 109.853 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.472 ' CG ' HG21 ' A' ' 807' ' ' VAL . 28.6 t80 -58.13 -41.19 83.12 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 25.0 111.447 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -25.27 68.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.2 -33.63 22.22 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 774' ' ' CYS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 43.4 t -62.32 -46.31 89.31 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 122.035 0.921 . . . . 25.0 108.936 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.3 -19.03 53.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 116.422 2.008 . . . . 25.0 116.422 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.97 -38.98 83.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 48.8 m -77.54 -9.19 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.01 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.06 -15.31 19.07 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.797 -0.446 . . . . 25.0 109.797 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.89 51.27 3.65 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 118.458 -1.829 . . . . 25.0 110.165 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.2 164.81 4.94 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.648 2.092 . . . . 25.0 116.648 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.0 17.71 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.853 0.835 . . . . 25.0 111.173 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.18 175.12 11.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 114.842 -1.072 . . . . 25.0 108.864 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -152.41 -173.73 22.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 105.321 -3.111 . . . . 25.0 105.321 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 7.62 13.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.285 1.042 . . . . 25.0 110.136 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.38 153.49 76.0 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.083 -0.962 . . . . 25.0 108.594 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.82 -23.89 41.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 116.599 -1.801 . . . . 25.0 112.055 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -50.01 41.0 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.92 89.19 Favored Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.396 -0.907 . . . . 25.0 114.265 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 118.311 1.055 . . . . 25.0 110.445 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.37 -40.86 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.73 -34.38 69.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.549 -0.751 . . . . 25.0 110.028 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 792' ' ' PHE . . . . . 0.411 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.91 -44.13 97.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 175.646 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.81 72.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.689 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -60.86 -42.11 97.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.6 mt -72.06 -40.49 67.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -28.57 24.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.512 . . . . 25.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.86 -33.19 52.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.619 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.4 pt -84.19 -23.75 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.589 -0.694 . . . . 25.0 111.632 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 807' ' ' VAL . 30.7 m -91.6 20.26 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.909 0.861 . . . . 25.0 110.207 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -122.83 61.1 15.97 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.459 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -1.98 8.5 Favored 'Trans proline' 0 C--N 1.348 0.509 0 N-CA-C 114.867 1.064 . . . . 25.0 114.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -112.23 -3.32 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 39.52 20.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.238 1.015 . . . . 25.0 112.287 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.513 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.06 -8.34 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.09 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.36 23.39 63.07 Favored Glycine 0 N--CA 1.459 0.226 0 C-N-CA 121.217 -0.516 . . . . 25.0 113.947 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.513 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.58 153.03 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 -178.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 799' ' ' VAL . 48.7 t -97.44 127.09 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.255 0.55 . . . . 25.0 110.239 -175.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 169.91 8.35 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.575 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -49.12 -45.37 43.43 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.327 1.232 . . . . 25.0 114.327 179.611 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -18.91 62.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 25.0 110.384 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.96 20.04 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.67 -0.696 . . . . 25.0 110.972 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.445 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.3 m-85 -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 25.0 112.065 -179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.416 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.6 mm -62.45 -31.29 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.42 0.629 . . . . 25.0 110.381 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -44.63 -54.04 6.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.391 -1.277 . . . . 25.0 109.51 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' PHE . . . . . 0.441 ' HA ' ' HG3' ' A' ' 818' ' ' ARG . 2.1 t80 -72.54 -42.03 65.15 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.655 -0.418 . . . . 25.0 111.996 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -29.29 35.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.534 1.679 . . . . 25.0 115.534 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 37.4 t -84.63 -20.07 31.96 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.379 -1.451 . . . . 25.0 111.142 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 818' ' ' ARG . . . . . 0.441 ' HG3' ' HA ' ' A' ' 815' ' ' PHE . 5.2 mtm105 -71.97 -21.74 61.54 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.376 0.608 . . . . 25.0 109.914 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -49.75 -22.79 1.51 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.367 1.867 . . . . 25.0 114.113 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.8 p -72.32 -2.13 17.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -105.16 158.82 16.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.886 0.475 . . . . 25.0 111.182 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -71.46 141.35 50.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.48 158.96 43.22 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.63 -0.259 . . . . 25.0 111.326 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.64 -46.48 72.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.381 1.086 . . . . 25.0 109.775 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.8 p -64.15 -21.81 66.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.666 -1.152 . . . . 25.0 112.016 177.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.467 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -55.68 -25.53 40.17 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.95 1.093 . . . . 25.0 113.95 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.77 -33.13 72.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.748 0.785 . . . . 25.0 110.622 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -74.56 -37.69 62.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.857 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 826' ' ' ALA . 12.6 p -80.87 -36.34 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.314 -0.555 . . . . 25.0 111.123 -175.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.6 ppp? -66.86 -13.18 61.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.232 0.539 . . . . 25.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.28 -19.56 47.08 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.8 p -56.0 -28.93 59.35 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 122.855 0.462 . . . . 25.0 112.041 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.25 -27.13 68.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.412 0.551 . . . . 25.0 111.7 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -36.02 69.73 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.33 -39.05 63.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.815 -1.55 . . . . 25.0 106.815 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.92 92.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.122 -0.945 . . . . 25.0 111.325 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.93 73.94 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.745 0.783 . . . . 25.0 109.282 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.83 -86.32 1.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.346 -0.702 . . . . 25.0 111.346 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -114.98 -21.76 9.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.429 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 14.4 ptmt -73.69 155.78 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 25.0 110.294 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -85.53 -5.1 59.32 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -140.89 162.72 34.79 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 106.774 -1.565 . . . . 25.0 106.774 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 843' ' ' ILE . . . . . 0.496 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.3 tp -116.65 149.42 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 63.4 p -89.32 155.76 19.15 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.3 mtt -57.37 -34.28 68.68 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.281 -0.872 . . . . 25.0 112.159 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.496 ' HB2' HG13 ' A' ' 843' ' ' ILE . 15.8 mt-10 -72.52 -36.03 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.168 -0.333 . . . . 25.0 110.651 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.27 -41.4 81.1 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.93 31.74 0.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.329 0.651 . . . . 25.0 111.128 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 850' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 847' ' ' GLU . 0.5 OUTLIER -129.16 -32.7 2.01 Favored 'General case' 0 CA--C 1.49 -1.351 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 -176.36 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.504 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.3 pt-20 -101.79 -22.34 14.4 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.174 -1.376 . . . . 25.0 108.546 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.504 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.8 mt -122.12 86.79 47.26 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.044 0.537 . . . . 25.0 111.951 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.61 -25.05 69.49 Favored 'Trans proline' 0 CA--C 1.577 2.662 0 C-N-CA 114.172 -3.419 . . . . 25.0 117.652 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.53 ' HB3' ' H ' ' A' ' 744' ' ' SER . 56.2 Cg_endo -77.25 -170.77 0.99 Allowed 'Trans proline' 0 C--N 1.364 1.367 0 N-CA-C 115.639 1.361 . . . . 25.0 115.639 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.45 0.42 5.21 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -30.37 70.31 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.439 -2.06 . . . . 25.0 105.439 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.82 68.57 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.894 -0.504 . . . . 25.0 111.527 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -35.95 81.74 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.21 -0.596 . . . . 25.0 110.428 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -52.78 63.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.6 m -62.87 -43.24 99.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.132 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.79 -40.25 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.778 0.431 . . . . 25.0 110.56 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -9.0 58.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.074 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.9 ttm -80.68 152.43 28.43 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.458 -0.776 . . . . 25.0 112.838 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -75.89 143.35 74.33 Favored Pre-proline 0 C--O 1.215 -0.712 0 O-C-N 122.024 -0.423 . . . . 25.0 111.596 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.86 93.0 1.11 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 125.232 3.955 . . . . 25.0 115.103 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.401 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.1 m-85 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 122.312 1.053 . . . . 25.0 113.194 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.797 0 N-CA-C 107.978 -2.049 . . . . 25.0 107.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.82 136.6 52.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -141.73 149.68 40.82 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.419 0.155 . . . . 25.0 111.419 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 25.3 t0 -86.97 110.4 20.01 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.759 -0.588 . . . . 25.0 110.872 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -67.23 -37.43 83.55 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.253 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.12 -31.82 17.81 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.097 1.147 . . . . 25.0 114.097 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.7 t -99.69 20.11 14.66 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.04 0.447 . . . . 25.0 110.656 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.8 p90 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 122.341 1.067 . . . . 25.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 743' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -66.26 143.17 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.978 -1.01 . . . . 25.0 108.537 176.362 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 41.8 m -88.01 160.2 17.97 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.725 -0.61 . . . . 25.0 110.204 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.45 -26.17 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.699 -0.682 . . . . 25.0 110.641 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -82.85 -39.65 21.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 119.585 -0.245 . . . . 25.0 110.621 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 747' ' ' GLN . . . . . 0.46 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.7 tp60 -57.64 -41.11 80.74 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.346 0.593 . . . . 25.0 110.138 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -74.35 -21.05 59.87 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.706 -0.621 . . . . 25.0 109.336 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -33.39 23.48 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.946 -0.302 . . . . 25.0 111.132 -175.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -81.97 -36.92 27.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 751' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 33.6 t80 -69.94 -27.22 64.57 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 752' ' ' ARG . . . . . 0.673 ' O ' ' HB3' ' A' ' 755' ' ' PHE . 5.7 ppt_? -66.11 -12.72 57.49 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.62 -18.78 61.56 Favored 'General case' 0 CA--C 1.473 -2.011 0 O-C-N 118.831 -2.418 . . . . 25.0 110.781 173.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -19.78 65.93 Favored 'General case' 1 C--O 1.061 -8.848 0 N-CA-C 117.016 2.228 . . . . 25.0 117.016 177.193 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 755' ' ' PHE . . . . . 0.673 ' HB3' ' O ' ' A' ' 752' ' ' ARG 0.322 0.0 OUTLIER -43.24 -37.35 2.12 Favored 'General case' 0 C--O 1.286 3.025 0 C-N-CA 129.054 2.942 . . . . 25.0 112.714 163.764 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -112.01 -15.34 13.31 Favored 'General case' 0 C--N 1.264 -3.131 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -65.3 -54.15 33.41 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.28 2.97 40.36 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.352 0.407 . . . . 25.0 111.48 -177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -55.8 104.62 0.14 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.173 0.987 . . . . 50.0 112.717 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 760' ' ' ARG . . . . . 0.498 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 22.6 ttt-85 -55.36 -31.91 62.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.188 -1.824 . . . . 25.0 113.105 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -120.51 -1.91 10.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.422 -0.353 . . . . 50.0 111.145 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 60.95 33.91 19.65 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 71.9 p -73.14 -11.6 60.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 123.685 0.794 . . . . 25.0 112.728 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.56 17.27 55.27 Favored Glycine 0 C--O 1.195 -2.292 0 N-CA-C 104.973 -3.251 . . . . 25.0 104.973 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -158.26 137.8 11.9 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.72 124.89 42.24 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.76 -166.12 38.45 Favored Glycine 0 C--O 1.196 -2.24 0 N-CA-C 109.242 -1.543 . . . . 25.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -61.82 -59.74 0.26 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.843 2.322 . . . . 25.0 115.038 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -17.01 63.91 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.418 1.104 . . . . 25.0 110.046 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.498 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.4 mt-10 -86.27 -47.77 9.12 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 771' ' ' PHE . . . . . 0.532 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.1 t80 -57.92 -41.42 82.67 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 123.666 0.786 . . . . 25.0 112.037 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -23.54 67.27 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.688 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.36 21.04 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.39 -46.37 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.108 0.956 . . . . 25.0 108.744 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 775' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 13.4 mt -62.04 -18.78 61.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 116.546 2.054 . . . . 25.0 116.546 -177.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.69 -40.71 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 37.5 m -77.92 -5.85 52.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.376 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.433 HD12 ' HE2' ' A' ' 816' ' ' MET . 4.5 mm? -107.72 -6.48 16.8 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.774 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.63 50.97 4.48 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 118.711 -1.709 . . . . 25.0 112.68 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 780' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.1 162.96 18.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 116.942 2.201 . . . . 25.0 116.942 -179.551 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -98.92 15.91 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.639 -175.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.26 174.99 12.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.204 -0.907 . . . . 25.0 109.783 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -164.95 -164.28 19.97 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 104.854 -3.299 . . . . 25.0 104.854 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -86.2 18.23 3.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.48 1.14 . . . . 25.0 109.006 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.75 152.53 96.24 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 114.846 -1.07 . . . . 25.0 109.692 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.79 -20.64 58.75 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 117.646 -1.103 . . . . 25.0 113.283 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -86.12 -47.51 9.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.152 0.501 . . . . 25.0 109.652 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -69.76 -27.67 72.97 Favored Glycine 0 C--O 1.207 -1.564 0 C-N-CA 120.374 -0.917 . . . . 25.0 115.116 -175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.5 -28.19 69.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 1.481 . . . . 25.0 110.552 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.18 -41.17 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -70.39 -38.6 74.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -49.06 75.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 176.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.77 76.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 25.0 111.679 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -63.09 -40.5 97.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.7 mt -70.03 -43.03 79.56 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 N-CA-C 108.295 -1.002 . . . . 25.0 108.295 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -23.71 29.84 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.13 0.491 . . . . 25.0 110.855 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.9 t -81.14 -26.51 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.407 . . . . 25.0 112.048 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.9 pt -94.02 -24.94 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 799' ' ' VAL . . . . . 0.45 HG23 HG22 ' A' ' 807' ' ' VAL . 35.9 m -87.38 24.0 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.558 1.171 . . . . 25.0 109.533 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.34 60.1 28.37 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.946 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.77 1.67 4.87 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 115.087 1.149 . . . . 25.0 115.087 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.34 -4.7 12.96 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 53.14 40.86 31.92 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.506 1.122 . . . . 25.0 113.673 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 804' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 806' ' ' VAL . 0.1 OUTLIER -98.23 -11.23 22.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.14 -0.936 . . . . 25.0 109.899 178.552 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.73 22.73 49.03 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.202 -0.454 . . . . 25.0 112.88 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 806' ' ' VAL . . . . . 0.428 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -145.06 153.29 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 122.945 0.498 . . . . 25.0 110.117 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 807' ' ' VAL . . . . . 0.532 HG21 ' CG ' ' A' ' 771' ' ' PHE . 46.9 t -91.62 129.24 42.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.425 0.631 . . . . 25.0 109.554 -177.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.59 164.5 12.66 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.42 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 809' ' ' PHE . . . . . 0.503 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.2 OUTLIER -47.27 -44.33 22.99 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 -179.305 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -18.83 61.63 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 122.023 0.916 . . . . 25.0 110.841 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.24 -38.81 15.99 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 114.73 -1.123 . . . . 25.0 111.338 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' PHE . . . . . 0.52 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 71.8 m-85 -52.8 -37.34 59.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 122.766 1.27 . . . . 25.0 111.413 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.3 mm -63.32 -32.36 56.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 114.018 -1.446 . . . . 25.0 111.823 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.44 -46.02 62.84 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.14 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -71.44 -44.43 64.84 Favored 'General case' 0 C--O 1.201 -1.463 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.433 ' HE2' HD12 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.9 -21.85 65.08 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 17.9 t -80.94 -19.53 43.98 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 120.495 -1.378 . . . . 25.0 109.08 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -72.79 -21.43 60.99 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.019 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.42 -20.26 7.15 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.233 0.958 . . . . 25.0 111.709 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 45.1 p -63.94 -13.31 44.87 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.927 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.7 125.97 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.95 152.32 40.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.6 158.4 44.52 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.963 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.46 -44.67 89.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.635 1.207 . . . . 25.0 109.984 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 14.0 p -72.62 -15.93 61.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.528 -1.214 . . . . 25.0 113.369 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.408 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -63.31 -23.37 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -175.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.86 -33.54 71.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.728 0.775 . . . . 25.0 110.148 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -70.53 -40.49 73.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.548 . . . . 25.0 111.921 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 829' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 826' ' ' ALA . 8.3 p -77.12 -34.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.1 mtm -63.85 -14.14 50.7 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.81 -19.4 4.3 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.14 -0.35 . . . . 25.0 111.47 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -52.77 -29.6 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.165 0.586 . . . . 25.0 112.431 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -23.55 66.14 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.221 0.919 . . . . 25.0 112.569 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -37.59 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.97 -1.081 . . . . 25.0 108.839 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.77 -42.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.52 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.851 0.834 . . . . 25.0 109.074 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 75.82 -90.27 0.87 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.669 -0.776 . . . . 25.0 112.307 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -114.97 -1.01 13.21 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -174.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 17.8 ptmt -94.46 157.74 15.87 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.744 -0.598 . . . . 25.0 109.921 -177.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -91.4 0.39 57.52 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.53 162.45 36.56 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 105.509 -2.034 . . . . 25.0 105.509 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.9 tp -114.91 149.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.0 p -89.85 151.64 21.66 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.6 mtt -55.19 -34.37 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.094 0.473 . . . . 25.0 109.792 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.25 -22.22 61.27 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.4 -32.59 60.82 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.782 -0.574 . . . . 25.0 109.501 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 59.3 mt -71.64 -39.25 70.5 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -79.75 33.95 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.811 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -124.27 -32.4 3.19 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.501 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 24.4 pt-20 -108.69 -18.97 13.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.763 -1.562 . . . . 25.0 108.283 177.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 852' ' ' LEU . . . . . 0.501 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.7 mt -121.74 81.0 40.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.051 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.97 -23.56 74.09 Favored 'Trans proline' 0 CA--C 1.581 2.843 0 C-N-CA 113.426 -3.916 . . . . 25.0 117.765 167.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 854' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 58.5 Cg_endo -79.9 -170.03 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 118.153 2.328 . . . . 25.0 118.153 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.41 -25.51 6.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.68 1.192 . . . . 25.0 112.383 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.61 -30.92 65.72 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.718 -0.614 . . . . 25.0 112.222 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -63.39 -48.55 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.264 -0.574 . . . . 25.0 110.148 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.17 -34.48 73.04 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 120.123 -0.631 . . . . 25.0 111.325 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.02 68.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.802 -0.636 . . . . 25.0 109.334 173.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.6 m -63.87 -44.11 94.09 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.445 -0.343 . . . . 25.0 110.867 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.27 -41.75 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.874 0.47 . . . . 25.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.97 92.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.412 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -10.15 57.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.513 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.1 ttm -80.16 151.88 29.51 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.845 -0.534 . . . . 25.0 111.535 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 865' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -74.27 140.17 76.09 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.743 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.85 94.88 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 125.261 3.974 . . . . 25.0 114.9 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 867' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.3 m-85 . . . . . 0 C--N 1.318 -0.784 0 CA-C-O 121.966 0.888 . . . . 25.0 113.071 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.545 0 N-CA-C 111.958 -0.457 . . . . 25.0 111.958 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.92 140.37 47.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.8 mt -141.96 153.42 44.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.976 0.362 . . . . 25.0 111.976 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 878' ' ' ASP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 28.9 t0 -90.07 107.12 18.93 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.689 0.756 . . . . 25.0 110.349 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -68.0 -35.44 78.31 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.28 -1.327 . . . . 25.0 111.509 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -92.26 -20.82 20.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.1 t -109.54 20.49 18.11 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.03 0.443 . . . . 25.0 110.0 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 882' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 115.051 1.501 . . . . 25.0 115.051 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 CA-C-O 119.569 -0.573 . . . . 25.0 112.653 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 74.5 p -144.77 22.89 1.6 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.024 0.912 . . . . 25.0 110.881 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 18.2 m 55.31 -140.06 0.94 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.517 0.727 . . . . 25.0 111.857 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.04 145.17 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.959 0.885 . . . . 25.0 112.236 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.462 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 31.0 t -90.73 158.07 17.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.889 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -63.72 -26.63 68.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.578 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -81.93 -37.82 26.2 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.469 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 37.7 tp60 -60.56 -41.27 94.24 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.627 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.425 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.8 ptp -73.42 -21.12 60.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.749 -0.78 . . . . 25.0 109.184 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.29 -35.03 31.59 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.67 -0.412 . . . . 25.0 111.63 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.27 -34.45 23.81 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.387 -0.525 . . . . 25.0 109.86 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.1 t80 -72.79 -22.74 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.411 -0.806 . . . . 25.0 112.903 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -63.28 -20.17 65.23 Favored 'General case' 0 C--O 1.204 -1.341 0 O-C-N 121.147 -0.971 . . . . 25.0 109.056 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.91 -21.95 62.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.723 0.692 . . . . 25.0 109.966 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.0 t -63.92 -13.26 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.091 -0.381 . . . . 25.0 111.061 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -23.61 49.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 172.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -3.79 12.48 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.862 0.363 . . . . 25.0 111.249 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -69.71 -54.93 11.47 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.972 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.427 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.12 2.84 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.157 0.429 . . . . 25.0 112.157 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 15.1 t0 -54.88 104.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.868 0.842 . . . . 50.0 112.773 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.525 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -55.59 -36.24 66.67 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 113.986 -1.461 . . . . 25.0 112.568 -173.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -115.59 -3.51 12.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.438 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 61.47 31.96 18.93 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 64.7 p -69.58 -11.86 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.56 15.48 59.98 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 108.727 -1.749 . . . . 25.0 108.727 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.42 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.247 -0.976 . . . . 25.0 108.42 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -94.91 124.76 39.14 Favored 'General case' 0 C--O 1.197 -1.687 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.08 -163.58 30.66 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 109.66 -1.376 . . . . 25.0 109.66 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -62.6 -60.57 0.18 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 CA-C-N 120.642 2.221 . . . . 25.0 114.831 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -68.64 -19.05 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.422 1.106 . . . . 25.0 109.614 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.525 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 10.7 mt-10 -83.26 -46.71 12.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.528 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.3 t80 -60.23 -41.6 93.43 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 123.215 0.606 . . . . 25.0 111.263 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -23.78 66.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.751 -0.659 . . . . 25.0 109.905 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.02 23.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.1 t -62.99 -45.02 94.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.976 0.893 . . . . 25.0 109.329 176.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.97 -18.85 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 115.798 1.777 . . . . 25.0 115.798 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.84 -38.58 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.0 m -78.52 -4.99 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.501 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.9 -13.55 15.77 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 83.22 52.41 3.8 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 118.569 -1.777 . . . . 25.0 111.122 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.09 162.87 5.3 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 116.799 2.148 . . . . 25.0 116.799 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -91.69 12.74 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.871 0.868 . . . . 25.0 110.942 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 169.08 20.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.34 -171.15 18.37 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.263 -0.97 . . . . 25.0 111.209 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.63 55.13 3.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.613 0.72 . . . . 25.0 109.39 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.46 162.31 53.59 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.04 -14.58 26.16 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 117.741 -1.039 . . . . 25.0 114.169 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -87.0 -44.63 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.5 73.82 Favored Glycine 0 C--O 1.204 -1.775 0 C-N-CA 120.369 -0.919 . . . . 25.0 112.688 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.03 -25.88 66.49 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 118.493 1.146 . . . . 25.0 110.767 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.91 -39.35 51.18 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.48 -34.62 67.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.641 -0.709 . . . . 25.0 110.418 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.13 -31.32 69.92 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.967 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -40.54 94.02 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.0 -41.11 59.83 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -25.77 35.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.391 0.615 . . . . 25.0 110.98 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -78.66 -30.3 46.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 25.0 111.975 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.08 -23.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.826 -0.546 . . . . 25.0 111.92 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.552 HG23 HG22 ' A' ' 807' ' ' VAL . 32.5 m -92.59 23.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 122.324 1.059 . . . . 25.0 109.827 177.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -121.7 61.16 11.98 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.585 -1.188 . . . . 25.0 109.101 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.62 -8.02 22.51 Favored 'Trans proline' 0 C--N 1.35 0.642 0 N-CA-C 114.495 0.921 . . . . 25.0 114.495 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.55 -2.8 19.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 -175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 56.46 41.43 28.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.899 0.88 . . . . 25.0 113.248 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.435 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.14 -7.88 16.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.625 -1.171 . . . . 25.0 110.799 177.234 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.96 23.56 63.63 Favored Glycine 0 N--CA 1.458 0.145 0 C-N-CA 121.117 -0.563 . . . . 25.0 113.645 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.435 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.27 154.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.552 HG22 HG23 ' A' ' 799' ' ' VAL . 48.6 t -93.7 125.66 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.304 0.573 . . . . 25.0 109.636 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.2 p -105.94 168.61 9.0 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.904 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.442 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -50.64 -44.17 57.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 177.765 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -74.01 -17.42 60.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.079 0.466 . . . . 25.0 110.157 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.45 -37.1 20.14 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.913 -0.585 . . . . 25.0 111.246 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.445 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 65.4 m-85 -59.41 -33.9 71.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.5 . . . . 25.0 111.828 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.425 HG21 ' HE2' ' A' ' 748' ' ' MET . 10.4 mm -62.65 -32.2 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 121.82 0.819 . . . . 25.0 110.231 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -49.97 -42.1 48.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.472 -1.24 . . . . 25.0 110.996 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.12 -43.58 28.5 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 120.819 -0.352 . . . . 25.0 111.046 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -31.43 43.36 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 42.6 t -77.79 -19.72 54.53 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.406 -1.434 . . . . 25.0 111.132 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -74.67 -21.47 59.39 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.931 -0.396 . . . . 25.0 109.931 177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.21 -19.07 2.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.703 1.201 . . . . 25.0 111.969 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.2 p -73.3 5.94 3.24 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -120.57 153.78 36.3 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.129 0.572 . . . . 25.0 110.532 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.05 151.63 42.5 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.432 1.271 . . . . 25.0 114.432 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.25 171.28 16.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.712 174.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -87.34 -35.47 18.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.967 0.889 . . . . 25.0 110.417 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.7 p -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.985 -1.007 . . . . 25.0 110.316 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -55.98 -22.24 25.61 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -36.3 76.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.906 0.86 . . . . 25.0 110.522 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -68.57 -41.96 78.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 25.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 826' ' ' ALA . 8.8 p -76.32 -33.68 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.175 -0.61 . . . . 25.0 109.37 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 93.1 mtp -66.23 -20.78 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.896 -0.503 . . . . 25.0 112.247 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.78 65.26 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 25.0 111.011 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 95.4 p -60.28 -26.56 66.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.705 0.631 . . . . 25.0 112.705 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.06 -26.53 68.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 118.206 0.457 . . . . 25.0 111.472 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.29 -35.59 68.75 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.626 -0.672 . . . . 25.0 109.916 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -71.95 -40.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -43.5 97.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.681 -0.691 . . . . 25.0 110.791 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.1 76.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.571 0.7 . . . . 25.0 109.871 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.11 -88.5 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -114.83 -18.59 11.29 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.461 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.1 ptmt -76.73 155.98 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.925 -0.398 . . . . 25.0 109.925 -172.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -90.09 0.24 57.25 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -144.05 160.31 41.1 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 104.92 -2.252 . . . . 25.0 104.92 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -113.88 149.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 105.733 -1.951 . . . . 25.0 105.733 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.4 p -88.6 154.91 19.94 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.56 -32.56 69.02 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -66.61 -32.93 74.57 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.993 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.98 -37.49 69.88 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.925 -0.484 . . . . 25.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.08 -37.95 84.88 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -82.46 32.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.823 -0.626 . . . . 25.0 110.84 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -124.81 -38.55 2.35 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 106.471 -1.678 . . . . 25.0 106.471 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.539 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -94.42 -20.45 19.7 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.28 -1.327 . . . . 25.0 108.613 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.539 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.4 mt -124.1 85.56 54.64 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -54.62 -33.17 78.23 Favored 'Trans proline' 0 CA--C 1.58 2.779 0 N-CA-C 118.491 2.458 . . . . 25.0 118.491 165.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 46.7 Cg_endo -81.62 -167.55 0.51 Allowed 'Trans proline' 0 C--N 1.364 1.355 0 N-CA-C 117.262 1.985 . . . . 25.0 117.262 -174.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.43 -23.01 22.84 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -58.92 -29.86 67.4 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.38 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 852' ' ' LEU . . . -64.47 -47.93 77.13 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.37 -0.832 . . . . 25.0 111.727 175.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.41 -34.78 72.9 Favored 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.298 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -50.54 72.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -63.13 -44.35 95.8 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.824 -0.171 . . . . 25.0 110.638 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.57 -41.42 87.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.793 0.33 . . . . 25.0 110.494 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.14 99.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -83.99 -12.65 54.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.813 0.301 . . . . 25.0 111.813 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.475 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.9 ttm -77.74 151.64 34.01 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.877 -0.514 . . . . 25.0 110.924 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.63 129.28 94.11 Favored Pre-proline 0 C--O 1.223 -0.312 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.153 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.43 87.13 1.26 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.397 2.065 . . . . 25.0 114.762 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -89.49 98.48 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.585 -1.265 . . . . 25.0 107.585 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 45.4 p -144.54 161.47 39.01 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 145.13 -178.54 22.84 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 106.65 -2.58 . . . . 25.0 106.65 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -74.04 -25.01 14.42 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 CA-C-N 119.595 1.697 . . . . 25.0 113.639 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -83.27 -12.27 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.188 0.994 . . . . 25.0 108.381 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 26.1 m -100.13 165.67 11.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.165 -1.38 . . . . 25.0 108.172 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.07 155.19 38.51 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.99 121.29 8.14 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 116.533 -1.845 . . . . 25.0 111.046 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 82.46 53.87 3.48 Favored Glycine 0 C--O 1.222 -0.624 0 C-N-CA 120.792 -0.718 . . . . 25.0 114.881 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.57 142.74 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -142.01 146.85 36.01 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 122.432 0.293 . . . . 25.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.32 109.17 18.8 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.488 -0.758 . . . . 25.0 111.411 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.96 -38.27 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.225 -0.898 . . . . 25.0 110.872 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.28 -29.04 19.48 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.692 0.997 . . . . 25.0 113.692 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -98.93 18.44 17.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.943 0.401 . . . . 25.0 110.715 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.475 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 10.9 p90 -48.36 159.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.367 1.617 . . . . 25.0 115.367 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.0 t -78.26 115.35 17.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 25.0 111.676 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 61.6 p -79.18 -2.47 41.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.657 -0.702 . . . . 25.0 109.495 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -107.06 19.36 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.42 0.688 . . . . 25.0 110.037 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.9 mp 61.98 -172.06 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.557 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -36.82 85.5 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 -174.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -160.43 26.79 0.31 Allowed Glycine 0 C--O 1.224 -0.526 0 C-N-CA 119.801 -1.19 . . . . 25.0 114.785 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -93.82 51.87 1.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 25.0 109.829 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.0 m -147.97 164.84 32.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.634 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 53.64 44.66 29.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.036 0.935 . . . . 25.0 112.485 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 C--O 1.251 1.153 0 CA-C-N 114.823 -1.081 . . . . 25.0 109.626 178.78 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.529 0 N-CA-C 110.797 -0.921 . . . . 25.0 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.3 p -95.6 -142.05 0.26 Allowed 'General case' 0 C--N 1.323 -0.551 1 N-CA-C 98.191 -4.744 . . . . 25.0 98.191 160.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 4.4 p -66.1 -28.17 68.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.949 0.88 . . . . 25.0 109.645 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.87 148.58 10.57 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 CA-C-O 122.018 0.913 . . . . 25.0 111.504 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.4 t -96.78 164.62 12.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.401 -0.818 . . . . 25.0 109.705 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -69.12 -29.14 67.13 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -77.95 -39.63 42.0 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.414 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.6 tp60 -59.49 -41.42 89.81 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.337 0.398 . . . . 25.0 110.615 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.476 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.4 ptp -74.04 -21.16 60.06 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 119.956 -0.698 . . . . 25.0 109.192 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.35 -34.99 31.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.95 -0.3 . . . . 25.0 111.642 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -84.34 -35.43 23.25 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.495 -0.482 . . . . 25.0 109.826 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 73.5 t80 -72.88 -22.02 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.21 0.819 . . . . 25.0 113.21 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -62.92 -19.55 64.34 Favored 'General case' 0 C--O 1.201 -1.478 0 O-C-N 121.195 -0.94 . . . . 25.0 108.65 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.43 63.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.039 0.836 . . . . 25.0 110.283 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.6 t -63.75 -13.71 46.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.975 0.417 . . . . 25.0 110.935 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -23.7 47.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.001 1.111 . . . . 25.0 114.001 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -2.22 12.26 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 120.693 0.282 . . . . 25.0 111.517 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -56.97 6.9 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.696 0.284 . . . . 25.0 111.037 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.12 5.52 35.15 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 20.0 t0 -58.06 103.18 0.13 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.935 0.874 . . . . 50.0 111.158 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.537 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 27.2 mtt180 -60.07 -33.18 71.71 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 113.894 -1.503 . . . . 25.0 113.386 -172.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -115.56 -3.23 12.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.059 -0.519 . . . . 50.0 110.225 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.7 t60 61.04 33.29 19.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.465 1.283 . . . . 25.0 114.465 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 46.7 p -69.47 -11.09 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.35 0.66 . . . . 25.0 112.704 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.39 61.72 Favored Glycine 0 CA--C 1.51 -0.266 0 N-CA-C 108.342 -1.903 . . . . 25.0 108.342 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.5 p -154.32 136.41 14.72 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.032 -1.084 . . . . 25.0 108.583 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -93.36 126.27 38.4 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.09 -167.55 35.86 Favored Glycine 0 C--O 1.195 -2.32 0 N-CA-C 108.961 -1.655 . . . . 25.0 108.961 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.49 -60.62 0.21 Allowed 'Trans proline' 0 C--N 1.329 -0.497 0 CA-C-N 120.808 2.304 . . . . 25.0 113.933 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.48 -16.81 64.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.817 0.818 . . . . 25.0 110.644 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.537 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 15.6 mt-10 -87.06 -45.62 10.56 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.036 -0.529 . . . . 50.0 110.331 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.438 ' CG ' HG21 ' A' ' 807' ' ' VAL . 31.0 t80 -58.8 -39.44 81.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.713 0.805 . . . . 25.0 111.713 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -24.99 67.91 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.607 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -33.33 21.84 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.16 -44.83 94.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.195 0.998 . . . . 25.0 109.368 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.91 -18.88 61.78 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.202 1.927 . . . . 25.0 116.202 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.24 -37.88 79.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.833 -0.802 . . . . 25.0 108.833 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 32.1 m -72.64 -12.49 61.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.59 -18.98 17.08 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.484 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.59 52.49 3.34 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 118.79 -1.672 . . . . 25.0 109.892 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 163.48 3.19 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 116.42 2.008 . . . . 25.0 116.42 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -90.89 13.01 17.68 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.068 0.937 . . . . 25.0 111.018 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.21 174.91 10.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.26 -168.04 19.21 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.59 -1.404 . . . . 25.0 109.59 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 56.5 3.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.894 0.854 . . . . 25.0 109.743 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 785' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 14.6 t70 -126.5 145.0 51.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 786' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 63.1 Cg_endo -63.87 -21.21 69.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 121.426 1.417 . . . . 25.0 113.575 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -81.06 -41.68 22.22 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.42 -30.29 75.03 Favored Glycine 0 C--O 1.205 -1.7 0 C-N-CA 120.297 -0.954 . . . . 25.0 111.955 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.71 -28.17 68.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.117 0.958 . . . . 25.0 110.393 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.42 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.51 -34.75 70.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.475 0.655 . . . . 25.0 110.286 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.402 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 174.567 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.02 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.806 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -59.89 -41.48 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 173.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 792' ' ' PHE . 11.1 mt -74.42 -39.95 48.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -26.69 37.42 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.553 0.692 . . . . 25.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 19.3 t -77.98 -29.42 49.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.089 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.5 pt -90.58 -23.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.072 0.396 . . . . 25.0 111.821 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.605 HG23 HG22 ' A' ' 807' ' ' VAL . 30.1 m -93.4 23.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.482 1.134 . . . . 25.0 109.347 177.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -124.83 60.27 25.93 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 114.34 -1.3 . . . . 25.0 107.863 169.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.1 -6.71 19.64 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 118.165 -0.756 . . . . 25.0 114.049 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -102.86 -0.54 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 803' ' ' ARG . . . . . 0.418 ' HE ' ' HA ' ' A' ' 803' ' ' ARG . 0.0 OUTLIER 54.13 40.42 31.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.22 1.008 . . . . 25.0 113.695 178.397 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.466 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.61 -8.22 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.501 177.427 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.53 22.16 62.85 Favored Glycine 0 CA--C 1.517 0.159 0 C-N-CA 121.131 -0.557 . . . . 25.0 113.458 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.466 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.79 154.05 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.275 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.605 HG22 HG23 ' A' ' 799' ' ' VAL . 48.5 t -95.54 123.76 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.56 169.82 8.3 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.364 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.464 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.68 -43.32 47.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.188 1.181 . . . . 25.0 114.188 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -17.94 60.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.214 0.53 . . . . 25.0 110.532 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.58 -37.58 19.41 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.105 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.464 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 63.2 m-85 -59.24 -32.22 69.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 25.0 111.249 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.476 HG21 ' HE2' ' A' ' 748' ' ' MET . 11.1 mm -62.75 -32.69 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.916 0.865 . . . . 25.0 110.365 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.16 -39.82 57.18 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 114.588 -1.187 . . . . 25.0 111.207 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.39 -43.29 23.69 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 120.847 0.356 . . . . 25.0 110.828 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.75 37.51 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.127 1.529 . . . . 25.0 115.127 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.5 t -78.42 -19.75 52.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.248 -1.533 . . . . 25.0 111.38 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -75.06 -21.42 59.02 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.365 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.74 -22.44 1.39 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.346 1.458 . . . . 25.0 113.546 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.3 p -75.27 8.47 2.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -87.05 -127.77 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -154.65 150.0 27.19 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.73 170.18 21.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.041 1.497 . . . . 25.0 115.041 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -86.66 -37.07 18.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.184 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.5 p -64.16 -21.39 66.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.562 0.745 . . . . 25.0 110.158 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -54.95 -27.19 41.7 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.619 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.54 -36.9 74.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.796 0.807 . . . . 25.0 110.909 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -71.85 -43.0 66.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.802 -0.636 . . . . 25.0 111.926 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.7 p -74.23 -32.84 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.2 -0.6 . . . . 25.0 110.207 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.33 -19.03 65.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.897 -0.502 . . . . 25.0 111.953 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.62 65.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.91 -0.493 . . . . 25.0 110.605 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.9 m -64.94 -22.74 67.05 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -65.21 -22.94 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.85 -0.531 . . . . 25.0 110.932 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.04 -34.67 75.59 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.657 -0.652 . . . . 25.0 109.75 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.0 -38.99 44.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.307 -1.368 . . . . 25.0 107.307 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.33 90.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.448 -0.796 . . . . 25.0 110.354 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.63 78.16 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.722 0.772 . . . . 25.0 110.376 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 84.79 -99.13 2.27 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -114.97 -1.23 13.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.56 0.68 . . . . 25.0 112.384 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -87.74 155.5 19.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -90.49 0.67 57.23 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 113.913 1.079 . . . . 25.0 113.913 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -146.44 161.67 39.9 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 104.615 -2.365 . . . . 25.0 104.615 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 2.9 tp -114.08 148.62 16.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.117 -1.808 . . . . 25.0 106.117 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 55.7 p -87.59 154.83 20.3 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 845' ' ' MET . . . . . 0.448 ' HG2' HD11 ' A' ' 877' ' ' LEU . 62.4 mtt -57.62 -34.99 69.89 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -63.87 -35.73 81.59 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.585 -0.734 . . . . 25.0 112.377 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.51 -36.9 79.51 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.136 -0.353 . . . . 25.0 110.587 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.36 -41.89 75.95 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 175.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -75.38 14.21 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -113.02 -34.29 5.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.95 -24.44 20.15 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 89.91 42.54 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.887 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.37 -34.69 81.74 Favored 'Trans proline' 0 CA--C 1.572 2.379 0 N-CA-C 117.613 2.12 . . . . 25.0 117.613 164.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 41.0 Cg_endo -82.47 -168.73 0.63 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 N-CA-C 116.552 1.712 . . . . 25.0 116.552 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.24 -16.61 22.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.787 -1.097 . . . . 25.0 112.845 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -58.83 -31.63 68.66 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.517 -0.739 . . . . 25.0 110.303 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.94 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.501 -0.48 . . . . 25.0 111.577 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.47 -32.37 62.55 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -49.76 72.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 172.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 94.8 m -64.36 -43.77 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.54 -42.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.222 0.534 . . . . 25.0 110.593 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.86 89.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.693 -0.685 . . . . 25.0 112.577 -174.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -16.12 34.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 7.7 ttm -72.67 157.37 37.67 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.713 -0.617 . . . . 25.0 110.124 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.53 131.05 86.65 Favored Pre-proline 0 C--O 1.221 -0.442 0 O-C-N 121.524 -0.735 . . . . 25.0 109.782 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.28 89.39 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.289 2.659 . . . . 25.0 113.433 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -93.31 97.96 10.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 46.1 p -144.17 77.93 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.851 0.834 . . . . 25.0 110.42 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -94.13 175.41 34.94 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 108.505 -1.838 . . . . 25.0 108.505 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.26 -19.22 29.56 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.08 1.853 . . . . 25.0 112.552 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.2 -7.78 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.896 1.278 . . . . 25.0 108.7 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.0 t -104.99 -165.28 1.12 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.348 -1.297 . . . . 25.0 109.135 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.73 155.75 66.01 Favored Pre-proline 0 CA--C 1.501 -0.935 0 N-CA-C 106.277 -1.749 . . . . 25.0 106.277 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.29 0.5 8.44 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 N-CA-C 113.893 0.69 . . . . 25.0 113.893 -174.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -121.64 39.55 2.32 Favored Glycine 0 C--O 1.222 -0.611 0 CA-C-O 119.391 -0.672 . . . . 25.0 113.214 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.95 140.5 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 877' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 845' ' ' MET . 3.7 mt -141.92 149.56 40.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.197 -0.297 . . . . 25.0 110.197 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.07 110.97 21.62 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.767 -0.773 . . . . 25.0 111.136 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -67.5 -38.0 83.66 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.342 -0.844 . . . . 25.0 111.598 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.2 -25.73 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.0 t -104.14 19.42 20.16 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.674 0.273 . . . . 25.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.0 OUTLIER -43.68 150.88 0.22 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.543 1.312 . . . . 25.0 114.543 177.591 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 11.1 m -67.84 128.96 38.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.578 -0.737 . . . . 25.0 112.413 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.6 t -77.68 12.07 1.83 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.514 0.673 . . . . 25.0 110.777 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -134.84 156.81 48.25 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.285 -1.376 . . . . 25.0 107.285 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.04 171.03 10.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.04 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -65.18 50.12 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 116.36 1.985 . . . . 25.0 116.36 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -70.7 155.04 52.75 Favored Glycine 0 CA--C 1.52 0.393 0 O-C-N 121.56 -0.712 . . . . 25.0 111.391 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.82 139.0 57.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.968 0.413 . . . . 25.0 112.081 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.9 m -149.76 142.13 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.019 -1.104 . . . . 25.0 108.019 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -161.08 161.34 31.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 115.821 -2.038 . . . . 25.0 113.411 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 118.755 -1.025 . . . . 25.0 111.447 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.4 m -112.24 8.64 19.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.147 0.974 . . . . 25.0 113.293 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -30.37 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.855 0.836 . . . . 25.0 111.778 -177.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -66.82 149.93 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.204 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.0 p -97.42 164.98 12.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -65.6 -25.52 67.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.051 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.74 -36.3 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.709 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -61.44 -41.01 96.53 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.262 0.553 . . . . 25.0 110.22 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -73.63 -20.94 60.44 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -32.94 24.2 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.725 -0.39 . . . . 25.0 110.732 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -36.96 23.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 56.7 t80 -71.94 -24.24 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -62.36 -19.6 63.54 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.14 63.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.192 0.906 . . . . 25.0 110.638 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.3 t -64.09 -14.53 55.31 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.103 -0.373 . . . . 25.0 110.875 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -21.48 29.08 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 172.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -0.31 10.02 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.658 0.266 . . . . 25.0 111.586 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -54.56 8.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.977 0.417 . . . . 25.0 111.021 -178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.422 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.9 m-85 -104.05 4.04 33.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.343 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.427 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 23.2 t0 -58.37 103.47 0.15 Allowed 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.777 0.799 . . . . 50.0 111.634 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.494 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 56.9 mtt180 -57.95 -32.12 67.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 114.353 -1.294 . . . . 25.0 113.674 -173.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -118.23 1.58 11.9 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.519 0.512 . . . . 75.0 111.197 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 54.82 34.31 21.68 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.1 p -69.48 -8.82 50.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.229 0.825 . . . . 25.0 113.229 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 15.51 65.26 Favored Glycine 0 CA--C 1.51 -0.258 0 N-CA-C 108.615 -1.794 . . . . 25.0 108.615 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -154.65 136.32 14.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.101 -1.05 . . . . 25.0 109.104 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.05 126.29 41.18 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.93 -168.22 39.15 Favored Glycine 0 C--O 1.195 -2.322 0 N-CA-C 108.913 -1.675 . . . . 25.0 108.913 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.76 -60.53 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.478 0 CA-C-N 121.082 2.441 . . . . 25.0 114.471 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -16.86 64.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.624 0.726 . . . . 25.0 110.355 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.494 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 14.8 mt-10 -85.74 -46.2 10.92 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.931 176.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.433 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.9 t80 -59.06 -40.1 84.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.071 0.949 . . . . 25.0 111.489 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.91 66.41 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.63 -34.31 21.41 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 50.1 t -61.71 -46.05 91.33 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.177 0.989 . . . . 25.0 109.697 176.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.09 -18.73 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 116.153 1.909 . . . . 25.0 116.153 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.87 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 44.4 m -76.33 -6.88 53.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.0 -14.25 16.55 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.26 47.13 6.23 Favored Glycine 0 C--O 1.219 -0.838 0 C-N-CA 118.65 -1.738 . . . . 25.0 110.302 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.32 160.29 1.17 Allowed 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 117.06 2.244 . . . . 25.0 117.06 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -93.31 20.92 6.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.712 0.768 . . . . 25.0 111.063 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.82 172.64 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 106.542 -1.651 . . . . 25.0 106.542 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 104.21 167.46 24.87 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 121.346 -0.454 . . . . 25.0 112.313 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 62.88 -6.03 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.89 158.8 61.46 Favored Pre-proline 0 C--N 1.317 -0.841 0 C-N-CA 123.304 0.642 . . . . 25.0 110.081 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.77 -20.18 17.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 N-CA-C 114.746 1.018 . . . . 25.0 114.746 -176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -76.55 -33.15 58.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.28 73.07 Favored Glycine 0 C--O 1.207 -1.563 0 C-N-CA 120.701 -0.762 . . . . 25.0 112.628 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.54 -25.15 65.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.433 1.117 . . . . 25.0 110.802 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.93 -36.68 80.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.962 . . . . 25.0 109.922 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -61.32 -41.77 97.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 175.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.21 74.58 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 25.0 111.426 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -41.53 99.53 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 792' ' ' PHE . 14.8 mt -68.03 -42.31 85.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -26.98 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.128 0.489 . . . . 25.0 111.466 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -79.42 -30.9 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.053 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -88.45 -23.55 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.598 -0.689 . . . . 25.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.573 HG23 HG22 ' A' ' 807' ' ' VAL . 29.6 m -91.93 24.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 122.122 0.963 . . . . 25.0 109.413 176.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -120.71 62.75 10.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.665 -1.152 . . . . 25.0 109.47 168.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -69.62 -1.86 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 N-CA-C 114.557 0.945 . . . . 25.0 114.557 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.32 -1.3 14.29 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.846 -0.534 . . . . 25.0 109.625 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 55.63 41.78 30.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.177 0.991 . . . . 25.0 112.851 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.472 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.4 -7.19 16.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.866 178.136 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.07 65.25 Favored Glycine 0 N--CA 1.459 0.2 0 C-N-CA 121.137 -0.554 . . . . 25.0 113.801 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.472 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.44 152.13 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 -179.253 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.573 HG22 HG23 ' A' ' 799' ' ' VAL . 47.3 t -90.31 125.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -176.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.5 p -106.09 166.86 10.2 Favored 'General case' 0 C--O 1.204 -1.316 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.833 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.48 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -51.04 -42.69 60.64 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.42 -17.1 60.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.134 0.492 . . . . 25.0 110.447 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.77 -36.48 17.28 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.539 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.48 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.94 -32.74 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 25.0 110.548 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.86 -32.78 53.11 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 115.224 -0.898 . . . . 25.0 110.998 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.86 -41.86 71.33 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.326 -0.852 . . . . 25.0 110.966 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.23 -39.76 59.69 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.52 0.676 . . . . 25.0 110.503 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.457 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -58.85 -28.71 66.34 Favored 'General case' 0 C--O 1.202 -1.442 0 O-C-N 121.525 -0.734 . . . . 25.0 112.802 178.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.0 t -84.88 -18.82 33.58 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.373 -1.455 . . . . 25.0 110.394 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -74.24 -19.86 60.37 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.03 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.05 -20.72 1.51 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.64 1.576 . . . . 25.0 114.22 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 60.6 p -70.42 1.97 4.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -108.55 132.06 54.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.607 0.363 . . . . 25.0 110.293 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.33 145.42 53.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.071 -0.513 . . . . 25.0 111.797 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.05 175.96 9.33 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -84.99 -37.84 19.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.59 0.709 . . . . 25.0 110.567 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 1.2 p -65.65 -18.45 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.932 0.893 . . . . 25.0 109.894 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.49 -20.21 59.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.597 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.54 -36.45 71.64 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.75 0.786 . . . . 25.0 110.661 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.05 -41.18 77.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.607 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 826' ' ' ALA . 14.9 p -82.13 -33.37 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.388 -0.525 . . . . 25.0 110.295 -175.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 77.5 mtm -69.21 -16.69 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.818 -0.552 . . . . 25.0 110.784 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.47 66.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 832' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 835' ' ' ILE . 10.5 m -63.79 -22.04 66.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 178.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.14 -26.55 68.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.783 -0.573 . . . . 25.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.05 63.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 832' ' ' SER . 2.8 mp -68.19 -42.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.459 ' HB3' HD11 ' A' ' 843' ' ' ILE . 11.5 mt -62.66 -47.39 83.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 25.0 110.365 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.36 96.6 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.126 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.47 -83.47 1.33 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.077 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -111.48 -27.62 8.52 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 120.922 -1.34 . . . . 25.0 113.644 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 6.2 pttm -80.81 160.73 24.75 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.149 1.452 . . . . 25.0 109.683 -164.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -86.19 2.77 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 113.524 -1.671 . . . . 25.0 115.069 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -146.32 166.86 25.05 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 105.05 -2.204 . . . . 25.0 105.05 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 836' ' ' LEU . 5.4 tp -119.3 148.6 22.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 80.7 p -85.81 151.06 24.11 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -55.82 -32.41 63.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 25.0 110.451 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.57 -27.23 65.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.84 -36.87 64.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.743 0.306 . . . . 25.0 110.762 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.58 -38.02 83.46 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -76.31 10.61 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.292 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -105.9 -37.79 6.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -89.39 -29.49 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.682 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.54 91.16 33.05 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.68 -34.01 89.18 Favored 'Trans proline' 0 CA--C 1.575 2.534 0 N-CA-C 118.067 2.295 . . . . 25.0 118.067 164.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.26 -167.72 0.52 Allowed 'Trans proline' 0 C--N 1.364 1.375 0 N-CA-C 117.185 1.956 . . . . 25.0 117.185 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -50.19 -26.97 5.16 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.103 -1.408 . . . . 25.0 114.0 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.61 -31.53 64.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.457 -0.777 . . . . 25.0 112.37 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.47 -48.41 75.33 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 120.271 -0.571 . . . . 25.0 111.05 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -74.75 -31.34 61.77 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.873 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -51.61 65.63 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 170.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.11 -43.99 93.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.441 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.7 mt -58.77 -41.52 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.907 0.384 . . . . 25.0 110.492 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.52 93.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.632 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -82.3 -20.33 37.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.786 0.326 . . . . 25.0 111.531 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.539 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.1 ttm -74.22 152.05 39.83 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.513 0.56 . . . . 25.0 112.513 -175.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -68.06 131.57 92.2 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 120.276 -0.569 . . . . 25.0 110.441 -173.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.9 88.93 0.89 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.434 3.423 . . . . 25.0 114.813 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -93.82 98.67 11.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.875 0.845 . . . . 25.0 109.665 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 63.2 p -138.84 146.49 41.3 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 167.64 177.6 39.17 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.633 -2.187 . . . . 25.0 107.633 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.3 -20.56 18.51 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.984 2.456 . . . . 25.0 113.364 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -87.65 -10.37 51.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.663 1.185 . . . . 25.0 108.244 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 75.4 m -118.83 -173.57 2.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.141 -1.39 . . . . 25.0 108.564 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.44 156.53 45.77 Favored Pre-proline 0 CA--C 1.504 -0.795 0 N-CA-C 106.02 -1.844 . . . . 25.0 106.02 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.26 5.03 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 N-CA-C 114.157 0.791 . . . . 25.0 114.157 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.46 45.7 1.11 Allowed Glycine 0 C--O 1.224 -0.47 0 CA-C-O 119.43 -0.65 . . . . 25.0 111.816 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.76 140.14 47.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -141.92 149.14 39.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.784 -0.189 . . . . 25.0 110.684 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.07 108.81 18.44 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.105 -0.638 . . . . 25.0 111.59 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -65.97 -33.29 75.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.036 -0.984 . . . . 25.0 112.574 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -95.78 -24.68 16.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.5 t -100.14 14.41 30.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.198 0.523 . . . . 25.0 110.269 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.539 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.1 OUTLIER -50.55 154.13 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 179.229 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.6 t -89.23 113.03 24.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.728 1.01 . . . . 25.0 113.728 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.0 p -75.51 -11.8 60.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 25.0 109.783 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.49 12.73 24.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.379 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 3.8 mp 66.78 177.69 0.23 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.445 1.09 . . . . 25.0 110.933 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -74.0 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 81.74 119.5 0.51 Allowed Glycine 0 CA--C 1.523 0.584 0 CA-C-O 121.629 0.572 . . . . 25.0 113.569 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -88.55 128.93 35.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.772 -0.84 . . . . 25.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 67.9 m -151.97 151.8 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -150.65 109.65 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.252 1.229 0 O-C-N 124.328 1.017 . . . . 25.0 112.851 -179.132 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 CA-C-O 119.164 -0.798 . . . . 25.0 111.608 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 59.5 p -96.45 2.04 52.18 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.1 p -69.21 -31.37 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.67 0.747 . . . . 25.0 110.752 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.3 OUTLIER -70.82 148.81 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.592 0.711 . . . . 25.0 111.554 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.9 t -92.91 159.18 15.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.79 -30.04 71.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 25.0 110.105 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.99 -36.42 36.01 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.495 -0.482 . . . . 25.0 109.893 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -61.34 -40.92 96.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 25.0 111.175 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.5 ptp -74.78 -21.01 59.56 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.99 -39.77 33.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.172 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.46 -36.69 52.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.844 -0.743 . . . . 25.0 109.305 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 61.2 t80 -73.32 -22.34 60.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -19.62 65.11 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.271 -0.893 . . . . 25.0 108.895 175.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.6 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 118.87 0.759 . . . . 25.0 110.555 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.1 t -64.62 -13.87 55.48 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.754 0.311 . . . . 25.0 110.688 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -21.5 44.3 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.976 1.102 . . . . 25.0 113.976 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 5.19 9.29 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 120.879 0.371 . . . . 25.0 111.105 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -77.15 -53.02 8.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.712 0.291 . . . . 25.0 111.521 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -104.07 3.67 33.48 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.468 -0.333 . . . . 25.0 111.896 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 17.4 t0 -56.02 104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.152 0.977 . . . . 50.0 112.784 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.434 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -54.41 -32.04 56.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.101 -1.409 . . . . 25.0 113.129 -173.564 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -122.19 1.11 9.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.752 -0.658 . . . . 75.0 111.857 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 79.1 m80 54.46 35.23 22.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 p -71.65 -9.44 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.577 0.751 . . . . 25.0 112.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.18 14.55 64.06 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.74 136.39 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.333 -0.933 . . . . 25.0 108.889 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -95.02 126.77 40.59 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.51 -166.52 38.74 Favored Glycine 0 C--O 1.198 -2.115 0 N-CA-C 109.194 -1.562 . . . . 25.0 109.194 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.26 -60.38 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 120.709 2.254 . . . . 25.0 114.223 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -14.53 63.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.807 0.813 . . . . 25.0 110.889 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.434 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 14.5 mt-10 -88.71 -44.76 10.34 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.469 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' A' ' 807' ' ' VAL . 30.5 t80 -59.49 -38.84 81.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.604 0.762 . . . . 25.0 111.565 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -22.9 67.08 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.334 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.61 20.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 121.111 0.481 . . . . 25.0 109.762 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.54 -44.15 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.161 0.981 . . . . 25.0 109.918 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 25.5 mt -63.69 -18.86 64.43 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 116.005 1.854 . . . . 25.0 116.005 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.4 -39.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.1 m -76.63 -5.91 49.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.778 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.41 -13.86 15.51 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 123.332 0.395 . . . . 25.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 84.35 51.54 3.88 Favored Glycine 0 C--O 1.225 -0.459 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.278 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.97 160.89 16.83 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 117.26 2.319 . . . . 25.0 117.26 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.51 11.37 24.29 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.775 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.13 -177.73 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.744 -174.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 102.23 133.32 8.01 Favored Glycine 0 C--O 1.222 -0.653 0 CA-C-N 116.02 -0.536 . . . . 25.0 114.249 170.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 61.16 13.49 4.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -123.91 143.95 43.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.95 -25.45 74.1 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 120.952 1.102 . . . . 25.0 113.977 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -87.25 -47.08 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.34 -33.9 87.62 Favored Glycine 0 C--O 1.206 -1.633 0 N-CA-C 115.011 0.764 . . . . 25.0 115.011 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.58 -23.95 66.27 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 118.97 1.385 . . . . 25.0 110.715 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.29 -38.34 30.96 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.64 -32.88 68.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.793 -0.64 . . . . 25.0 110.434 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -44.54 83.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.95 70.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.861 -0.335 . . . . 25.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.1 -38.63 91.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.11 -41.2 67.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.998 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -24.92 47.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 25.0 111.146 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.2 t -78.25 -28.47 47.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 25.0 112.169 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.1 pt -91.77 -23.56 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.756 -0.59 . . . . 25.0 112.163 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.459 HG23 HG22 ' A' ' 807' ' ' VAL . 33.3 m -92.19 24.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 122.174 0.988 . . . . 25.0 109.825 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -122.69 62.49 17.81 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.355 171.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.0 -9.81 26.89 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.647 0.98 . . . . 25.0 114.647 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -109.46 -1.33 18.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.678 0.275 . . . . 25.0 110.403 -175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 56.58 41.06 29.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.66 0.784 . . . . 25.0 112.638 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.47 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.71 -8.48 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.756 -1.111 . . . . 25.0 110.325 177.212 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.79 22.75 65.78 Favored Glycine 0 C--O 1.234 0.118 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.83 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -140.9 151.93 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.459 HG22 HG23 ' A' ' 799' ' ' VAL . 41.1 t -90.56 125.18 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 2.0 p -106.67 167.65 9.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.586 -0.733 . . . . 25.0 111.735 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.471 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -50.62 -43.08 56.83 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 177.648 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.05 -16.09 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 25.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -88.57 -36.14 16.51 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.262 0.553 . . . . 25.0 111.667 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.471 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 62.6 m-85 -59.24 -31.91 69.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.538 0.685 . . . . 25.0 110.59 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.6 mm -62.01 -31.96 52.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.388 -0.824 . . . . 25.0 110.657 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -54.43 -37.05 64.67 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.126 -0.943 . . . . 25.0 111.193 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.67 -41.85 23.04 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-O 120.737 0.303 . . . . 25.0 110.929 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.412 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.13 -30.18 59.25 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 2.1 t -79.15 -16.85 56.03 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.73 -1.231 . . . . 25.0 111.928 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -76.64 -21.45 55.45 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 116.224 -0.444 . . . . 25.0 110.384 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -52.06 -21.4 3.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.905 1.282 . . . . 25.0 113.055 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 75.9 p -70.26 -3.19 15.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.58 152.65 23.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.08 142.83 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.064 -0.516 . . . . 25.0 112.11 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.86 159.17 42.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 111.602 0.223 . . . . 25.0 111.602 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.61 -48.1 67.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.177 0.989 . . . . 25.0 110.602 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.3 p -65.59 -15.56 62.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.935 -1.029 . . . . 25.0 112.3 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -63.33 -21.01 66.0 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.59 -37.14 70.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.813 0.816 . . . . 25.0 110.683 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -68.57 -41.18 80.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.202 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 826' ' ' ALA . 14.2 p -81.13 -32.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.535 -0.466 . . . . 25.0 109.833 -174.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.5 mtm -70.25 -12.38 61.55 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.919 -0.488 . . . . 25.0 111.625 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.78 -22.5 62.24 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.043 -0.41 . . . . 25.0 110.04 173.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.7 p -59.8 -25.99 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -62.54 -26.7 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.394 0.543 . . . . 25.0 111.349 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -71.1 -33.91 70.6 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.593 -0.692 . . . . 25.0 109.754 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.76 -38.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.87 95.66 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.204 0.525 . . . . 25.0 110.089 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.27 85.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.071 0.938 . . . . 25.0 109.386 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.74 -83.64 1.35 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.562 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -114.98 -27.68 7.28 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.9 ptmt -69.68 151.07 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.016 0.436 . . . . 25.0 110.595 -172.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -84.96 1.09 48.96 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -147.47 161.13 41.7 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -113.06 149.88 15.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 105.841 -1.911 . . . . 25.0 105.841 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.5 p -90.05 154.43 19.81 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.02 -32.99 68.48 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 121.459 0.647 . . . . 25.0 109.416 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.14 -31.03 71.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 25.0 112.587 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.94 -38.31 64.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.099 -0.376 . . . . 25.0 110.587 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.87 -40.24 91.46 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.3 mtp-105 -76.26 16.16 0.49 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -118.39 -38.23 3.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -83.26 -26.63 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.58 91.45 41.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 122.65 0.38 . . . . 25.0 110.06 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -54.66 -33.54 80.06 Favored 'Trans proline' 0 CA--C 1.571 2.328 0 N-CA-C 117.518 2.084 . . . . 25.0 117.518 165.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -83.08 -169.85 0.8 Allowed 'Trans proline' 0 C--N 1.364 1.382 0 N-CA-C 117.222 1.97 . . . . 25.0 117.222 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.35 -23.46 3.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 113.863 -1.517 . . . . 25.0 113.645 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.96 -31.16 64.71 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.589 -0.694 . . . . 25.0 112.124 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.3 -48.16 82.64 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.244 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.52 -31.41 57.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -49.27 73.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 170.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.89 -42.65 90.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.451 -0.34 . . . . 25.0 110.917 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.9 mt -58.55 -41.6 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.051 0.453 . . . . 25.0 110.034 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.6 87.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.936 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -83.77 -15.22 49.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.92 0.391 . . . . 25.0 111.327 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.567 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.4 ttm -79.81 154.6 28.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.053 0.76 . . . . 25.0 113.053 -177.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.74 131.56 85.87 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.501 -0.479 . . . . 25.0 110.869 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.13 90.5 0.76 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 124.491 3.461 . . . . 25.0 114.477 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.61 0.719 . . . . 25.0 112.277 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.5 p -135.29 150.94 50.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.8 173.07 36.25 Favored Glycine 0 C--O 1.226 -0.359 0 N-CA-C 109.21 -1.556 . . . . 25.0 109.21 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -73.55 -23.64 16.95 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.122 2.548 . . . . 25.0 113.61 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.17 -21.34 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.321 1.049 . . . . 25.0 108.543 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 73.2 m -97.24 178.98 5.06 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.068 -1.423 . . . . 25.0 109.086 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.36 158.08 36.33 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.09 4.76 3.02 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 N-CA-C 113.89 0.689 . . . . 25.0 113.89 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.75 54.62 0.77 Allowed Glycine 0 C--O 1.225 -0.419 0 N-CA-C 110.142 -1.183 . . . . 25.0 110.142 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 140.57 47.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.02 149.97 40.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.706 -0.224 . . . . 25.0 111.01 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.65 110.49 21.37 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.025 -0.67 . . . . 25.0 111.525 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.42 -30.42 68.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.1 -0.954 . . . . 25.0 112.225 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -98.22 -20.17 17.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.7 t -105.36 16.76 25.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 1.7 p90 -53.08 158.33 1.52 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.3 t -88.31 112.82 23.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 34.0 p -75.31 -8.65 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 25.0 109.853 172.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -99.06 15.07 27.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.072 0.549 . . . . 25.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.4 mp 65.29 179.19 0.19 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.312 1.007 . . . . 25.0 110.819 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -45.31 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 65.1 -152.97 50.9 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.672 -0.971 . . . . 25.0 110.672 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -142.5 148.51 37.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 104.487 -2.412 . . . . 25.0 104.487 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 72.8 p -157.89 168.79 26.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -154.77 174.91 14.39 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 105.405 -2.072 . . . . 25.0 105.405 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.849 -1.072 . . . . 25.0 112.282 -177.895 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.223 -0.765 . . . . 25.0 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 19.9 m -94.06 -10.74 32.45 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.32 1.06 . . . . 25.0 113.081 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.1 p 57.14 -169.8 0.1 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.409 1.084 . . . . 25.0 111.749 -172.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 142.27 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.662 0.744 . . . . 25.0 109.507 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.582 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 29.2 t -89.81 157.92 17.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -24.42 67.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.747 -0.66 . . . . 25.0 109.46 173.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.32 -35.7 23.09 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.455 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 43.6 tp60 -62.87 -42.33 99.72 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 120.735 -0.386 . . . . 25.0 110.101 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.455 ' HE2' HG21 ' A' ' 813' ' ' ILE . 7.0 ptp -72.59 -21.07 61.19 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -40.51 35.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.7 -0.4 . . . . 25.0 110.88 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -78.96 -34.87 43.93 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.695 -0.802 . . . . 25.0 109.584 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -73.68 -21.7 60.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.487 -0.758 . . . . 25.0 112.585 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.15 -20.17 65.81 Favored 'General case' 0 C--O 1.203 -1.351 0 O-C-N 121.253 -0.905 . . . . 25.0 108.7 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.69 -21.3 62.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.832 0.742 . . . . 25.0 110.074 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -63.97 -14.24 52.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.78 0.324 . . . . 25.0 110.948 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -23.6 39.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.029 1.122 . . . . 25.0 114.029 171.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.19 -1.01 10.93 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -70.34 -56.34 6.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.071 0.463 . . . . 25.0 111.223 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.0 4.1 34.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 25.0 111.497 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 20.8 t0 -56.48 104.53 0.15 Allowed 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 122.303 1.049 . . . . 50.0 112.665 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.417 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 38.8 ttp180 -50.97 -40.4 57.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.064 -1.88 . . . . 25.0 113.133 -176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.39 5.91 11.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.752 -0.658 . . . . 50.0 110.893 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 57.78 34.62 24.64 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.878 0.847 . . . . 25.0 112.215 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.1 p -75.59 -8.5 56.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.311 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.35 13.92 67.24 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 108.913 -1.675 . . . . 25.0 108.913 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.6 p -154.5 136.35 14.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.022 -1.089 . . . . 25.0 108.221 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -94.45 127.11 40.15 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -79.31 -168.58 36.01 Favored Glycine 0 C--O 1.198 -2.136 0 N-CA-C 109.533 -1.427 . . . . 25.0 109.533 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.91 -57.63 0.5 Allowed 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-N 120.609 2.204 . . . . 25.0 113.663 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.14 -18.71 64.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.748 0.785 . . . . 25.0 110.493 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.417 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.3 mt-10 -88.3 -43.95 11.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.489 -0.778 . . . . 50.0 110.268 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.3 t80 -59.57 -40.5 87.56 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.269 0.628 . . . . 25.0 110.959 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -23.34 66.22 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.901 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.6 -33.7 21.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.59 -45.38 93.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.68 0.752 . . . . 25.0 109.48 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.36 -18.75 60.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 116.087 1.884 . . . . 25.0 116.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.85 -37.32 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.405 -0.961 . . . . 25.0 108.405 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 22.6 t -73.91 -6.92 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.496 -0.775 . . . . 25.0 112.224 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.15 -12.03 14.86 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.042 0.214 . . . . 25.0 110.975 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.5 43.14 8.67 Favored Glycine 0 C--O 1.221 -0.661 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.413 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.9 164.99 0.22 Allowed 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 118.401 2.741 . . . . 25.0 118.401 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -91.71 12.65 20.55 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.519 0.676 . . . . 25.0 111.593 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.14 168.63 23.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.515 -0.766 . . . . 25.0 110.431 -177.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.23 -164.4 11.83 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 109.898 -1.281 . . . . 25.0 109.898 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -87.75 15.09 7.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.39 165.23 45.67 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.94 -14.47 23.84 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.007 -2.196 . . . . 25.0 114.198 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -86.9 -46.6 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.07 -33.43 85.4 Favored Glycine 0 C--O 1.208 -1.484 0 C-N-CA 120.467 -0.873 . . . . 25.0 114.057 -175.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -66.38 -26.27 67.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 118.555 1.177 . . . . 25.0 110.7 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.98 -40.23 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.499 -0.75 . . . . 25.0 109.161 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.28 -34.77 70.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.665 -0.698 . . . . 25.0 110.157 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -43.56 87.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.576 -0.449 . . . . 25.0 111.877 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -62.61 -40.23 96.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.232 -0.655 . . . . 25.0 109.232 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.99 -41.31 68.41 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -26.96 42.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.54 0.686 . . . . 25.0 110.646 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.8 t -77.3 -30.54 54.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.948 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.6 pt -90.66 -23.57 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.919 -0.488 . . . . 25.0 112.306 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.515 HG23 HG22 ' A' ' 807' ' ' VAL . 32.8 m -92.32 24.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 122.306 1.05 . . . . 25.0 109.922 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -121.56 61.14 11.46 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 114.648 -1.16 . . . . 25.0 109.305 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.51 -7.58 21.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 114.565 0.948 . . . . 25.0 114.565 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.51 -2.46 20.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 55.79 41.73 29.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.925 0.89 . . . . 25.0 113.305 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.445 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.97 -7.55 16.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.087 177.426 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.19 22.48 65.35 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.105 -0.569 . . . . 25.0 113.781 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.445 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.07 153.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 -179.531 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.515 HG22 HG23 ' A' ' 799' ' ' VAL . 47.7 t -94.29 125.56 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.3 p -105.56 167.73 9.56 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.631 -0.713 . . . . 25.0 111.814 -176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.455 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.2 -42.82 61.15 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 178.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.71 -16.95 60.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 25.0 110.556 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.33 -36.93 18.97 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 121.215 0.531 . . . . 25.0 111.366 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.455 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.7 m-85 -59.19 -34.24 71.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.441 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.455 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.9 mm -62.35 -31.65 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 CA-C-O 121.546 0.688 . . . . 25.0 110.371 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -49.43 -47.5 48.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.881 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -73.0 -42.35 63.36 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.812 0.339 . . . . 25.0 110.91 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -29.65 51.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -81.24 -19.75 42.48 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.634 -1.291 . . . . 25.0 110.762 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -73.27 -21.52 60.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.97 -17.27 2.41 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.957 1.303 . . . . 25.0 113.106 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.6 p -75.05 -0.94 20.62 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.67 146.65 30.51 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.567 0.347 . . . . 25.0 110.98 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.97 143.66 57.8 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.44 171.47 16.01 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.15 -37.35 22.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.408 0.623 . . . . 25.0 110.774 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -21.59 64.39 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.074 0.549 . . . . 25.0 110.382 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -65.9 -20.36 66.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.175 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.94 -34.88 73.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.826 0.822 . . . . 25.0 109.976 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.17 -40.99 86.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.807 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.52 -35.67 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 -175.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 39.6 ttp -69.71 -15.12 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 25.0 111.606 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.29 -19.4 8.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.593 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 94.7 p -52.04 -27.76 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -22.75 67.07 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.554 1.07 . . . . 25.0 112.856 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -36.67 43.65 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.42 -42.84 84.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.09 -45.07 95.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.99 81.88 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.758 0.789 . . . . 25.0 109.018 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.93 -98.02 1.8 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -173.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -124.37 2.5 8.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -69.41 151.08 46.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -80.19 1.4 28.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -151.03 160.49 43.89 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -110.4 149.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 61.3 p -87.99 150.68 23.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 105.528 -2.027 . . . . 25.0 105.528 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -54.96 -35.34 64.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.533 0.683 . . . . 25.0 109.693 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -71.83 -22.38 61.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.43 -37.02 77.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.963 -0.46 . . . . 25.0 109.821 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.77 -37.96 67.47 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -80.57 33.35 0.31 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.328 0.651 . . . . 25.0 110.586 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -121.46 -37.08 2.96 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 105.582 -2.007 . . . . 25.0 105.582 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.512 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 25.7 pt-20 -103.39 -17.77 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 113.948 -1.478 . . . . 25.0 108.762 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.512 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.1 mt -124.6 84.96 56.9 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.876 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -63.09 -22.22 73.18 Favored 'Trans proline' 0 CA--C 1.583 2.95 0 C-N-CA 114.144 -3.437 . . . . 25.0 118.466 164.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.582 ' HB3' ' H ' ' A' ' 744' ' ' SER . 35.0 Cg_endo -82.91 -166.42 0.38 Allowed 'Trans proline' 0 C--N 1.366 1.487 0 N-CA-C 116.802 1.808 . . . . 25.0 116.802 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.74 -32.22 13.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.182 -1.372 . . . . 25.0 114.659 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -55.34 -30.97 61.29 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.713 -0.221 . . . . 25.0 111.471 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 852' ' ' LEU . . . -66.45 -51.33 58.02 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.39 -0.819 . . . . 25.0 111.554 174.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.92 -34.84 77.4 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.499 -0.48 . . . . 25.0 110.944 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -51.99 66.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.585 174.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.5 m -62.75 -44.11 97.06 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-O 120.489 0.185 . . . . 25.0 110.821 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 32.1 mt -61.4 -41.7 90.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 122.804 0.442 . . . . 25.0 111.142 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 862' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -66.96 -41.45 86.86 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.901 -0.59 . . . . 25.0 111.356 -175.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -10.18 58.92 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.607 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 0.3 OUTLIER -74.31 153.31 39.4 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.642 -0.661 . . . . 25.0 112.535 -178.423 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.686 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -72.52 137.32 80.7 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.028 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.99 91.77 1.17 Allowed 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 124.81 3.673 . . . . 25.0 115.328 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -92.02 104.32 16.73 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.496 0.665 . . . . 25.0 109.702 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 48.9 p -139.69 154.56 47.51 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.911 -0.493 . . . . 25.0 109.947 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 169.82 173.77 37.55 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 108.017 -2.033 . . . . 25.0 108.017 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.31 -21.51 19.9 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.876 2.384 . . . . 25.0 113.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.92 -9.61 33.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 124.39 1.076 . . . . 25.0 108.679 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 9.2 t -99.65 -172.09 2.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.465 -1.243 . . . . 25.0 107.87 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.42 156.36 49.16 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.61 3.96 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 N-CA-C 113.868 0.68 . . . . 25.0 113.868 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.46 47.83 0.99 Allowed Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.231 -0.76 . . . . 25.0 112.456 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.85 138.35 49.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.95 152.56 43.61 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.721 0.267 . . . . 25.0 111.721 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.686 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 26.7 t0 -89.11 107.72 19.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.42 0.628 . . . . 25.0 110.243 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.8 -32.89 70.12 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.926 -1.034 . . . . 25.0 112.0 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -91.45 -26.55 18.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -103.09 17.22 24.59 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.183 0.516 . . . . 25.0 110.499 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.517 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.4 p90 -51.93 158.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 49.1 m -79.94 119.06 22.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.299 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 73.1 p -75.01 0.82 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.099 0.476 . . . . 25.0 111.369 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -107.31 -90.51 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.89 -0.596 . . . . 25.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 3.3 tp -155.71 172.41 18.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.432 -0.349 . . . . 25.0 110.895 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 887' ' ' TYR . . . . . 0.458 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 0.9 OUTLIER -64.98 -23.53 67.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.35 -0.841 . . . . 25.0 111.712 173.034 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 132.11 176.25 14.33 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.104 -0.798 . . . . 25.0 111.104 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.58 -31.31 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.883 0.473 . . . . 25.0 111.832 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 72.3 m -157.63 -105.05 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.402 0.281 . . . . 25.0 110.386 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -90.93 8.61 34.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--O 1.256 1.439 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 -178.662 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 N-CA-C 111.914 -0.474 . . . . 25.0 111.914 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 75.0 m -152.06 122.51 7.31 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 102.672 -3.084 . . . . 25.0 102.672 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 53.4 p -38.77 -97.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.712 2.486 . . . . 25.0 117.712 -165.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.34 147.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 121.269 -0.894 . . . . 25.0 110.893 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 76.6 p -97.35 164.65 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.223 0.535 . . . . 25.0 109.867 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -27.37 68.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.144 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.15 -34.92 23.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.827 -0.349 . . . . 25.0 110.298 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.68 -41.08 94.37 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.67 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.427 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.1 ptp -73.17 -21.18 60.74 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.084 -0.646 . . . . 25.0 109.273 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -30.21 24.81 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.629 -0.428 . . . . 25.0 111.579 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.0 -38.11 23.07 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.571 -0.851 . . . . 25.0 108.956 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 66.9 t80 -72.42 -22.42 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -19.56 63.49 Favored 'General case' 0 C--O 1.197 -1.673 0 O-C-N 121.361 -0.837 . . . . 25.0 109.248 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.79 63.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.361 0.982 . . . . 25.0 110.719 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -13.7 57.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.925 -0.485 . . . . 25.0 110.613 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -23.62 50.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -111.25 -14.93 13.74 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.934 0.346 . . . . 25.0 111.934 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -67.49 -49.25 64.37 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.507 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 11.3 m-85 -104.13 1.2 30.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.529 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 18.3 t0 -56.17 104.46 0.14 Allowed 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.525 1.155 . . . . 50.0 112.269 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 29.7 ttp180 -51.33 -42.37 61.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.483 -1.69 . . . . 25.0 112.242 -175.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.59 5.69 11.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.153 -0.931 . . . . 50.0 111.254 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 67.9 m80 56.0 34.37 23.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.0 p -70.75 -10.82 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.06 15.35 62.88 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 108.159 -1.976 . . . . 25.0 108.159 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.58 136.4 14.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.004 -1.098 . . . . 25.0 108.292 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -93.8 127.45 39.55 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.427 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.35 -168.48 33.26 Favored Glycine 0 C--O 1.203 -1.81 0 N-CA-C 109.793 -1.323 . . . . 25.0 109.793 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -62.94 -55.78 0.73 Allowed 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 120.31 2.055 . . . . 25.0 113.964 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.61 -16.83 61.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 25.0 110.331 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.433 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.7 mt-10 -86.39 -45.06 11.53 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.587 -0.733 . . . . 50.0 110.085 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.46 ' CG ' HG21 ' A' ' 807' ' ' VAL . 26.9 t80 -58.82 -41.78 87.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 123.365 0.666 . . . . 25.0 111.041 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -24.13 67.44 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.63 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.38 23.98 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.39 -46.36 88.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.032 0.92 . . . . 25.0 109.501 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 20.3 mt -59.97 -18.87 48.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 -178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.14 -38.42 80.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -74.24 -8.82 57.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.615 . . . . 25.0 112.32 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.52 -17.35 15.23 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.125 0.266 . . . . 25.0 110.353 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.34 53.0 3.06 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 118.895 -1.621 . . . . 25.0 110.505 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.401 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -61.75 164.67 5.94 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 116.752 2.131 . . . . 25.0 116.752 178.457 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -92.94 12.29 24.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.536 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.51 169.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.139 -177.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.34 -170.67 16.47 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.152 -1.979 . . . . 25.0 108.152 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 24.16 2.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.589 0.694 . . . . 25.0 110.461 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.48 166.92 25.23 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.78 -14.49 24.25 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 115.501 -2.532 . . . . 25.0 113.966 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -87.09 -46.08 10.12 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.74 92.5 Favored Glycine 0 C--O 1.207 -1.535 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.352 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.89 -25.48 66.41 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.116 0.958 . . . . 25.0 110.748 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.35 31.24 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.412 -0.805 . . . . 25.0 109.087 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -62.3 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 175.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.13 71.55 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.922 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -61.46 -43.53 98.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.5 mt -69.99 -41.51 79.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 108.898 -0.778 . . . . 25.0 108.898 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -27.78 36.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 25.0 110.74 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 10.2 t -78.2 -29.79 48.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.025 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.1 pt -90.19 -23.42 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 122.027 -0.421 . . . . 25.0 111.698 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.548 HG23 HG22 ' A' ' 807' ' ' VAL . 29.4 m -92.8 23.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 122.279 1.037 . . . . 25.0 109.672 177.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -122.6 57.95 10.21 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 114.44 -1.255 . . . . 25.0 108.83 170.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.93 -5.59 17.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 117.367 -1.288 . . . . 25.0 114.39 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -104.28 -3.15 24.62 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 56.18 41.57 29.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.984 0.914 . . . . 25.0 113.274 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.03 -8.4 16.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.598 -1.183 . . . . 25.0 110.659 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.2 23.13 63.95 Favored Glycine 0 N--CA 1.458 0.151 0 C-N-CA 121.185 -0.531 . . . . 25.0 113.845 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.414 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.34 154.92 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -178.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 799' ' ' VAL . 47.2 t -96.27 124.15 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.862 -0.422 . . . . 25.0 109.862 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.96 169.37 8.59 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.471 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.61 -43.57 46.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 179.27 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -16.94 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.194 0.521 . . . . 25.0 110.684 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.07 -37.57 17.31 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.617 -0.719 . . . . 25.0 111.31 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.457 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 63.2 m-85 -58.96 -33.21 70.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.601 . . . . 25.0 111.454 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.427 HG21 ' HE2' ' A' ' 748' ' ' MET . 10.3 mm -62.08 -31.99 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.808 0.813 . . . . 25.0 110.466 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -51.11 -43.7 61.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.836 -1.075 . . . . 25.0 110.997 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.78 -43.66 45.31 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.868 0.366 . . . . 25.0 110.614 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.8 -30.83 46.66 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 13.9 t -78.35 -19.74 52.8 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.313 -1.492 . . . . 25.0 111.108 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.93 -21.45 51.08 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.47 -10.43 0.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.463 1.505 . . . . 25.0 113.399 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.9 p -73.99 -3.36 28.73 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.784 -0.573 . . . . 25.0 112.118 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -107.27 159.04 16.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.136 0.574 . . . . 25.0 110.823 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.12 152.23 39.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.991 -0.55 . . . . 25.0 111.308 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 164.25 30.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.49 -46.99 71.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.484 1.135 . . . . 25.0 110.094 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 12.4 p -64.16 -18.45 64.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.368 -1.287 . . . . 25.0 112.614 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.419 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.66 -20.53 48.93 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -175.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.72 -37.09 70.46 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.847 0.832 . . . . 25.0 110.293 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.92 -40.87 78.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.135 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.0 p -78.78 -30.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.234 -0.586 . . . . 25.0 109.784 -175.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 62.4 mtt -64.93 -18.15 64.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.808 -0.558 . . . . 25.0 111.774 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.7 63.6 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.876 -0.515 . . . . 25.0 110.919 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 98.4 p -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.31 -26.07 68.22 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.924 -0.485 . . . . 25.0 111.301 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.717 -0.615 . . . . 25.0 109.382 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.6 -40.13 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.17 96.97 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.674 -0.694 . . . . 25.0 111.534 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.36 71.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 25.0 109.577 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.03 -83.38 1.38 Allowed Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.048 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.01 -27.98 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.451 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 14.6 ptmt -71.92 152.23 42.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 25.0 110.744 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -82.48 -6.67 59.45 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.091 -0.504 . . . . 25.0 112.252 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.439 ' CD2' ' HB1' ' A' ' 876' ' ' ALA . 36.9 p90 -138.26 162.8 33.39 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -115.51 149.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 105.492 -2.04 . . . . 25.0 105.492 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.5 p -88.87 156.76 18.73 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.7 mtt -58.7 -32.33 69.06 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.87 -34.5 77.94 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.341 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -43.25 91.9 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.91 -39.26 90.41 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.71 8.08 3.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -109.57 -37.75 5.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -82.12 -29.16 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 89.28 47.25 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 122.597 0.359 . . . . 25.0 111.559 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -54.15 -35.44 82.33 Favored 'Trans proline' 0 CA--C 1.575 2.562 0 N-CA-C 117.453 2.059 . . . . 25.0 117.453 164.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.07 -169.94 0.9 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 N-CA-C 116.542 1.708 . . . . 25.0 116.542 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -59.75 -16.42 27.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -58.65 -26.21 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.746 -0.596 . . . . 25.0 109.97 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.94 -48.81 67.45 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.453 -0.78 . . . . 25.0 111.525 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.87 -32.98 70.14 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -52.62 63.42 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.528 -0.76 . . . . 25.0 109.0 172.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.39 -43.01 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.385 -0.126 . . . . 25.0 110.753 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 51.4 mt -58.22 -40.58 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.2 0.524 . . . . 25.0 110.406 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 862' ' ' ALA . . . . . 0.529 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -69.14 -18.42 63.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -110.43 -2.41 16.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.984 0.421 . . . . 25.0 109.993 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.504 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -86.44 155.07 20.7 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.119 -0.363 . . . . 25.0 111.596 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -77.91 142.17 64.55 Favored Pre-proline 0 C--O 1.22 -0.5 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.873 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.6 93.34 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.954 3.102 . . . . 25.0 114.777 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -95.58 98.83 10.8 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 38.8 p -136.24 77.86 1.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.743 0.783 . . . . 25.0 109.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -107.47 173.27 18.54 Favored Glycine 0 C--O 1.226 -0.398 0 N-CA-C 109.75 -1.34 . . . . 25.0 109.75 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.48 -18.83 22.5 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.684 2.256 . . . . 25.0 113.011 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -88.69 -9.99 50.06 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.593 1.157 . . . . 25.0 108.243 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 37.4 m -111.38 -179.43 3.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.849 -1.523 . . . . 25.0 109.159 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.44 156.27 35.48 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 106.231 -1.766 . . . . 25.0 106.231 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.37 0.57 7.83 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 O-C-N 122.299 0.631 . . . . 25.0 113.54 -176.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -123.51 48.76 0.93 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.719 -0.952 . . . . 25.0 110.719 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 876' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 842' ' ' TYR . . . -112.75 142.72 45.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -142.03 147.07 36.26 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.125 0.17 . . . . 25.0 110.779 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 28.0 t0 -85.71 108.02 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.294 0.568 . . . . 25.0 110.419 177.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.972 -1.013 . . . . 25.0 111.828 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.24 -29.01 19.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -102.89 20.32 17.68 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.152 0.501 . . . . 25.0 109.931 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.504 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.0 p90 -47.52 155.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 177.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 16.9 m -71.23 130.37 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.738 -1.119 . . . . 25.0 111.597 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 69.5 p -82.9 8.71 11.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.447 0.642 . . . . 25.0 110.385 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -134.98 145.21 47.9 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.14 143.91 57.56 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.052 -0.976 . . . . 25.0 109.352 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 887' ' ' TYR . . . . . 0.529 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 5.4 p90 -23.5 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 118.3 2.704 . . . . 25.0 118.3 176.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 78.85 -164.56 50.41 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 -175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -133.21 151.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.1 m -154.82 170.52 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 57.33 43.36 23.54 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 124.312 1.008 . . . . 25.0 112.104 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.13 -0.941 . . . . 25.0 108.726 177.287 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 111.556 -0.617 . . . . 25.0 111.556 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.1 t -159.09 -128.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 73.8 p -157.0 -145.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.4 149.77 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.287 0.565 . . . . 25.0 110.807 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 59.7 p -97.45 168.22 10.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.964 0.411 . . . . 25.0 110.166 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -67.72 -27.87 67.17 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.153 0.501 . . . . 25.0 109.898 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -80.8 -39.83 26.07 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.797 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.88 -40.43 92.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.5 -20.97 59.79 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -31.9 25.84 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.801 -0.36 . . . . 25.0 111.579 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.5 -37.48 21.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.78 -0.768 . . . . 25.0 109.24 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 49.9 t80 -71.76 -21.94 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -19.53 63.11 Favored 'General case' 0 C--O 1.2 -1.516 0 O-C-N 121.175 -0.953 . . . . 25.0 109.0 174.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.01 64.27 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.825 0.739 . . . . 25.0 110.803 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -15.85 58.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 25.0 111.009 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -23.64 43.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.449 1.277 . . . . 25.0 114.449 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -116.31 -4.06 11.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.766 0.317 . . . . 25.0 111.427 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -69.66 -55.33 10.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.855 0.359 . . . . 25.0 111.834 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.402 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.6 m-85 -102.59 2.72 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.429 -0.35 . . . . 25.0 111.389 -177.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 21.4 t0 -56.11 104.43 0.14 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.136 0.969 . . . . 50.0 113.035 -177.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.473 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 43.8 ttp180 -49.09 -43.73 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.221 -1.809 . . . . 25.0 113.131 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.65 4.68 13.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.321 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 58.3 34.5 24.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.018 0.913 . . . . 25.0 111.752 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.5 p -74.63 -7.69 54.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.77 . . . . 25.0 112.078 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.08 67.55 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 108.947 -1.661 . . . . 25.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -154.48 136.39 14.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.034 -1.083 . . . . 25.0 108.233 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -91.43 126.83 36.64 Favored 'General case' 0 C--O 1.202 -1.412 0 O-C-N 120.941 -1.099 . . . . 25.0 108.33 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.463 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.44 -169.06 34.62 Favored Glycine 0 C--O 1.199 -2.079 0 N-CA-C 110.188 -1.165 . . . . 25.0 110.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -62.32 -57.52 0.47 Allowed 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 120.359 2.08 . . . . 25.0 113.751 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.52 -17.39 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.632 0.73 . . . . 25.0 110.091 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.473 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 9.7 mt-10 -87.93 -44.8 10.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.777 -0.647 . . . . 50.0 110.399 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.464 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.4 t80 -60.04 -39.74 86.96 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.329 0.652 . . . . 25.0 110.904 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -23.93 66.75 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.857 -0.611 . . . . 25.0 110.056 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -35.16 21.33 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.985 0.898 . . . . 25.0 109.248 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.04 -18.7 59.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.885 1.809 . . . . 25.0 115.885 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.42 -40.76 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.2 m -79.28 -5.78 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.698 -0.683 . . . . 25.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.427 HD12 ' CE ' ' A' ' 816' ' ' MET . 4.1 mm? -104.37 -1.0 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.271 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.94 31.31 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 118.923 -1.608 . . . . 25.0 112.648 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -57.34 164.34 1.87 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 121.537 3.903 . . . . 25.0 121.537 -175.633 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.586 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.2 t70 -76.48 -0.01 21.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.08 2.552 . . . . 25.0 111.617 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.77 177.47 5.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.194 -171.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.58 -172.65 24.13 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 104.897 -3.281 . . . . 25.0 104.897 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.56 19.91 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.342 1.071 . . . . 25.0 111.094 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -68.52 149.03 98.13 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.77 -25.87 81.95 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 N-CA-C 113.615 0.583 . . . . 25.0 113.615 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -81.89 -43.16 18.54 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.276 -1.009 . . . . 25.0 108.276 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.63 87.76 Favored Glycine 0 C--O 1.207 -1.578 0 C-N-CA 120.829 -0.701 . . . . 25.0 113.68 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.99 -25.18 64.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.497 1.148 . . . . 25.0 110.636 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -73.96 -31.24 62.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 25.0 110.506 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -42.11 97.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 172.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.16 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -58.24 -37.43 74.89 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.2 -41.77 23.13 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 O-C-N 122.056 -0.402 . . . . 25.0 110.04 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -26.1 39.27 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.565 0.698 . . . . 25.0 110.826 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 25.5 t -76.47 -31.69 57.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.709 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 17.1 pt -92.36 -23.65 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.709 0.633 . . . . 25.0 112.709 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 807' ' ' VAL . 31.3 m -91.87 24.27 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 122.32 1.057 . . . . 25.0 109.728 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -121.16 57.48 6.53 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.616 -1.174 . . . . 25.0 109.347 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.03 -7.82 22.25 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 117.458 -1.228 . . . . 25.0 112.907 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -97.42 -9.6 27.0 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 122.53 1.157 . . . . 25.0 110.494 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 53.65 44.69 29.37 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 112.011 -2.359 . . . . 25.0 113.251 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.21 -8.34 13.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.3 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.69 62.22 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.114 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.43 156.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.497 HG22 HG23 ' A' ' 799' ' ' VAL . 48.7 t -96.62 123.75 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.949 0.404 . . . . 25.0 109.926 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 7.4 p -102.11 170.12 8.31 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.933 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -51.34 -44.08 61.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 176.38 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -16.02 60.44 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.261 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.4 -36.4 20.7 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.071 0.462 . . . . 25.0 111.485 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.466 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 66.9 m-85 -59.58 -33.5 71.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.184 0.516 . . . . 25.0 111.935 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -62.9 -31.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.573 0.701 . . . . 25.0 110.402 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -51.89 -40.52 60.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.309 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.586 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.1 t80 -78.22 -43.85 27.27 Favored 'General case' 0 C--O 1.208 -1.094 0 O-C-N 121.82 -0.55 . . . . 25.0 110.112 174.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.427 ' CE ' HD12 ' A' ' 778' ' ' LEU . 1.5 tpt -61.0 -21.75 63.86 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 116.258 1.947 . . . . 25.0 116.258 -176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -80.02 -19.6 47.34 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 120.681 -1.262 . . . . 25.0 109.141 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -77.46 -19.79 55.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.614 -0.721 . . . . 25.0 110.444 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.58 -20.38 2.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 121.827 0.822 . . . . 25.0 111.591 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 77.9 p -66.46 3.42 0.97 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.354 1.242 . . . . 25.0 114.354 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -123.7 150.48 44.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.327 0.651 . . . . 25.0 110.057 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.65 148.35 33.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.609 1.337 . . . . 25.0 114.609 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 172.57 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.776 -1.564 . . . . 25.0 106.776 171.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -76.09 -35.06 59.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.785 0.802 . . . . 25.0 109.594 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -21.75 62.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.52 -0.764 . . . . 25.0 111.147 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.84 -21.95 65.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.606 -0.27 . . . . 25.0 111.152 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.16 -33.27 71.95 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.736 0.779 . . . . 25.0 109.962 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -68.86 -37.81 79.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.915 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.22 -37.58 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 -174.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -78.08 -0.87 29.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.04 0.448 . . . . 25.0 111.363 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.25 3.94 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.391 0.676 . . . . 25.0 111.528 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 79.9 p -50.23 -28.6 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -22.78 67.08 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.503 1.047 . . . . 25.0 112.843 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -40.1 58.07 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.975 -1.078 . . . . 25.0 108.385 175.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -66.85 -42.97 89.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.18 -45.52 93.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.494 -0.321 . . . . 25.0 111.859 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.93 71.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.76 0.79 . . . . 25.0 109.407 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.05 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.216 -0.754 . . . . 25.0 111.216 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -114.79 -3.21 12.81 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.127 0.463 . . . . 25.0 112.23 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -86.46 152.7 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.369 -0.974 . . . . 25.0 108.369 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -88.06 0.66 55.7 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.91 1.078 . . . . 25.0 113.91 -174.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -146.59 159.92 42.83 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.304 -2.109 . . . . 25.0 105.304 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.4 tp -110.43 148.5 13.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -86.67 151.2 23.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.704 -1.961 . . . . 25.0 105.704 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -56.06 -33.2 64.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.085 0.469 . . . . 25.0 109.849 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.87 -34.08 77.13 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.749 -0.66 . . . . 25.0 112.708 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.16 -38.12 78.58 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.142 -0.349 . . . . 25.0 110.849 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.7 -39.87 80.29 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 121.938 0.875 . . . . 25.0 108.802 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -80.72 31.87 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.256 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -128.24 -34.65 2.06 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.502 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -101.13 -18.24 16.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.238 -1.346 . . . . 25.0 109.021 177.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.502 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 11.7 mt -118.25 82.71 18.85 Favored Pre-proline 0 N--CA 1.467 0.418 0 CA-C-O 120.838 0.351 . . . . 25.0 111.758 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.64 -33.43 79.36 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 117.336 2.014 . . . . 25.0 117.336 166.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.46 -171.98 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 N-CA-C 116.633 1.743 . . . . 25.0 116.633 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -16.71 17.49 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -56.29 -29.72 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.078 -0.389 . . . . 25.0 110.541 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.19 -50.0 72.02 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.972 -0.455 . . . . 25.0 110.908 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.32 -32.35 64.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 120.365 -0.534 . . . . 25.0 111.237 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -52.42 63.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.463 -0.79 . . . . 25.0 109.351 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.93 -43.88 97.59 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 110.172 -0.307 . . . . 25.0 110.172 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 46.1 mt -59.32 -39.61 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 25.0 110.758 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 862' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -68.36 -24.21 64.77 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -175.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.05 -7.76 17.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.311 0.577 . . . . 25.0 110.554 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.1 ttm -79.79 150.4 30.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.867 -0.52 . . . . 25.0 110.246 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.49 130.4 94.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.058 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.71 88.76 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.616 2.21 . . . . 25.0 114.295 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -92.0 98.03 11.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 41.5 p -137.37 77.79 1.66 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 869' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' ' 872' ' ' SER . . . -105.69 178.84 23.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 109.274 -1.53 . . . . 25.0 109.274 176.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.18 -19.93 25.45 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.423 2.082 . . . . 25.0 113.059 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -90.24 -11.58 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 124.53 1.132 . . . . 25.0 108.397 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 872' ' ' SER . . . . . 0.427 ' HB2' ' H ' ' A' ' 869' ' ' GLY . 19.4 m -104.19 171.37 7.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.266 -1.334 . . . . 25.0 109.806 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -98.49 155.27 37.01 Favored Pre-proline 0 C--N 1.315 -0.934 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -76.54 32.53 0.41 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.014 1.809 . . . . 25.0 113.957 -175.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -159.68 42.07 0.46 Allowed Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.293 -1.523 . . . . 25.0 109.293 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 139.25 48.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -141.96 144.51 33.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -85.0 109.52 18.25 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.719 -0.792 . . . . 25.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -69.17 -37.2 78.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.687 -1.142 . . . . 25.0 111.039 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.25 -26.11 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.342 0.867 . . . . 25.0 113.342 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -102.49 19.05 19.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.866 0.365 . . . . 25.0 110.49 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.6 p90 -47.98 155.35 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.426 1.639 . . . . 25.0 115.426 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 44.0 m -77.8 131.61 37.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.966 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 57.0 p -80.61 -4.18 53.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -100.18 145.0 28.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.25 150.84 25.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.456 -1.683 . . . . 25.0 106.456 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 887' ' ' TYR . . . . . 0.414 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 47.8 p90 -45.55 4.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 121.12 3.748 . . . . 25.0 121.12 176.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.91 21.76 40.78 Favored Glycine 0 C--O 1.226 -0.385 0 O-C-N 121.344 -0.848 . . . . 25.0 113.127 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -67.43 -45.02 77.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 117.87 0.835 . . . . 25.0 110.177 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 7.9 t 53.03 31.58 11.35 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -92.06 47.49 1.34 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.393 0.616 . . . . 25.0 110.633 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.251 1.163 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.415 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.383 0 CA-C-O 119.138 -0.812 . . . . 25.0 112.725 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 72.3 p -138.91 -133.59 0.12 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.507 1.154 . . . . 25.0 110.992 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 78.3 p -157.16 -160.78 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.58 144.17 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.512 0.673 . . . . 25.0 110.172 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.423 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 59.5 p -97.58 166.86 11.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.455 -177.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -67.47 -25.05 65.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.812 176.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -82.16 -39.45 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.572 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.434 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.8 tp60 -59.47 -42.39 91.93 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.011 0.434 . . . . 25.0 110.152 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.5 ptp -73.16 -21.04 60.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -42.61 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.52 -35.44 40.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.199 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 42.7 t80 -70.49 -22.12 62.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -21.66 61.25 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 120.928 -1.108 . . . . 25.0 108.728 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.11 -22.85 67.14 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.993 0.815 . . . . 25.0 111.43 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -17.2 56.36 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.057 -0.402 . . . . 25.0 111.362 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -23.68 45.86 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -118.58 -8.87 10.37 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 178.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.46 -51.91 45.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.062 0.458 . . . . 25.0 112.19 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.473 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.2 m-85 -104.05 2.15 31.82 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.354 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 22.1 t0 -56.99 104.44 0.16 Allowed 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.947 0.879 . . . . 50.0 111.783 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.513 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 60.3 mtt180 -58.5 -33.8 70.22 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.418 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -115.59 -2.39 12.51 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.638 0.586 . . . . 75.0 110.805 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 62.73 30.41 16.8 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.406 1.632 . . . . 25.0 115.406 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 56.6 p -69.54 -11.06 60.53 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.85 61.7 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.755 -1.738 . . . . 25.0 108.755 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.5 136.32 14.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.959 -1.12 . . . . 25.0 108.474 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.89 125.55 41.4 Favored 'General case' 0 C--O 1.195 -1.774 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.93 -167.64 35.66 Favored Glycine 0 C--O 1.196 -2.221 0 N-CA-C 108.917 -1.673 . . . . 25.0 108.917 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -60.67 -60.54 0.25 Allowed 'Trans proline' 0 CA--C 1.534 0.516 0 CA-C-N 120.829 2.314 . . . . 25.0 114.254 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -16.82 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.581 0.705 . . . . 25.0 110.686 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.513 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 13.6 mt-10 -85.37 -45.69 11.66 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.346 -0.612 . . . . 50.0 109.346 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.461 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.2 t80 -58.67 -42.17 87.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.843 0.857 . . . . 25.0 111.465 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -23.04 67.19 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.621 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.53 -34.5 21.51 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 45.5 t -62.95 -45.6 91.72 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.116 0.96 . . . . 25.0 109.798 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.77 -18.74 45.67 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.764 1.764 . . . . 25.0 115.764 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.55 -40.26 85.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 57.5 m -79.75 -3.34 47.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.744 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.41 -3.85 17.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.405 -0.361 . . . . 25.0 110.642 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 779' ' ' GLY . . . . . 0.461 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 79.21 47.09 7.73 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 118.598 -1.763 . . . . 25.0 113.105 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.13 159.58 17.14 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 118.409 2.744 . . . . 25.0 118.409 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -86.99 7.83 25.89 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.832 0.825 . . . . 25.0 111.04 -175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.78 -179.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.211 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -171.74 -162.7 24.44 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.704 -2.158 . . . . 25.0 107.704 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.09 6.79 5.84 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.26 143.89 98.5 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.62 -22.71 74.26 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 120.536 0.824 . . . . 25.0 113.968 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.0 -39.17 18.37 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.02 -34.31 89.63 Favored Glycine 0 C--O 1.206 -1.596 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.506 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.55 -27.22 68.28 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.003 0.901 . . . . 25.0 110.942 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.08 -40.09 47.35 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.431 -0.793 . . . . 25.0 109.229 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.16 -33.1 69.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.625 . . . . 25.0 109.588 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.09 99.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.39 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.634 -0.426 . . . . 25.0 111.788 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -60.44 -43.53 96.72 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.2 mt -70.87 -41.46 77.23 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.09 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 25.0 110.96 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.2 t -77.67 -34.35 53.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.103 -0.498 . . . . 25.0 111.89 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.0 pt -83.93 -24.69 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 121.706 -0.621 . . . . 25.0 110.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 807' ' ' VAL . 24.6 m -93.39 21.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 122.451 1.119 . . . . 25.0 109.38 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -122.76 64.33 22.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.231 -1.349 . . . . 25.0 107.888 167.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 -6.53 19.12 Favored 'Trans proline' 0 C--N 1.348 0.542 0 N-CA-C 114.391 0.881 . . . . 25.0 114.391 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.13 -1.82 16.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.71 40.91 28.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 25.0 112.919 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.37 -6.8 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.147 -0.933 . . . . 25.0 110.894 177.5 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.8 20.06 69.11 Favored Glycine 0 N--CA 1.458 0.144 0 C-N-CA 121.229 -0.51 . . . . 25.0 113.857 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -140.06 151.82 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.591 HG22 HG23 ' A' ' 799' ' ' VAL . 53.3 t -91.89 125.6 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -176.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.4 p -104.8 166.75 10.18 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.778 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.479 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.38 -41.65 60.83 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 177.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.21 -17.24 60.39 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.546 -0.462 . . . . 25.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.04 -36.56 18.12 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.249 0.547 . . . . 25.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.479 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.56 -33.85 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.462 0.649 . . . . 25.0 110.896 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.8 mm -60.52 -32.36 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 115.103 -0.953 . . . . 25.0 110.618 -175.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.8 -49.56 62.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.591 -0.731 . . . . 25.0 110.52 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -69.09 -41.33 77.63 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 121.134 0.493 . . . . 25.0 110.534 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.29 -22.55 66.12 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 30.5 t -82.1 -19.71 39.6 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.136 -0.977 . . . . 25.0 109.07 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -20.02 57.81 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.169 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.83 -21.76 4.59 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 122.002 0.906 . . . . 25.0 111.52 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 69.1 p -67.19 2.42 1.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -118.82 141.13 48.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.099 0.56 . . . . 25.0 110.507 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.23 140.47 57.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.5 m -150.4 156.72 42.03 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.48 -47.87 78.32 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.057 0.932 . . . . 25.0 112.177 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 825' ' ' THR . . . . . 0.461 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 1.4 p -75.6 -21.58 57.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.537 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.31 -25.55 64.28 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.611 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.33 -33.17 69.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.836 0.827 . . . . 25.0 110.145 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -70.75 -37.6 73.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.8 p -76.65 -31.65 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.86 -9.61 46.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.75 -16.36 4.26 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.731 0.412 . . . . 25.0 111.771 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 89.9 p -50.23 -28.77 8.15 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -22.14 66.64 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.159 -0.963 . . . . 25.0 113.25 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -38.36 53.87 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.06 -41.88 90.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.06 -47.44 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.4 90.23 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.34 -85.87 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.887 -0.673 . . . . 25.0 111.922 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -115.01 -19.98 10.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.389 0.885 . . . . 25.0 113.389 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -74.57 154.0 38.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.387 0.613 . . . . 25.0 110.401 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -88.01 1.87 53.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -147.63 160.06 43.08 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.9 tp -111.64 149.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.6 p -88.46 150.22 23.25 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 65.5 mtt -55.69 -33.28 64.03 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 110.134 -0.321 . . . . 25.0 110.134 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -21.49 59.17 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 -176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.3 -40.01 67.86 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.66 -38.99 92.88 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -80.81 28.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 123.125 0.57 . . . . 25.0 111.377 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -125.82 -39.08 2.15 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.984 -1.487 . . . . 25.0 106.984 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.543 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.4 pt-20 -89.94 -24.11 21.39 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 174.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.543 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.1 mt -122.07 81.04 43.42 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.92 -0.582 . . . . 25.0 111.339 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.07 -23.75 62.46 Favored 'Trans proline' 0 CA--C 1.583 2.959 0 C-N-CA 114.983 -2.878 . . . . 25.0 118.862 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.485 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 32.9 Cg_endo -84.65 -165.1 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.561 0 N-CA-C 117.306 2.002 . . . . 25.0 117.306 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -51.19 -29.49 14.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.249 -1.342 . . . . 25.0 113.934 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -57.63 -31.46 66.28 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.569 -0.452 . . . . 25.0 111.936 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -65.8 -46.78 77.38 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.261 -0.899 . . . . 25.0 111.108 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.52 -34.48 74.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.191 -0.604 . . . . 25.0 111.097 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -51.29 69.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.636 . . . . 25.0 109.393 173.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.82 -45.33 93.1 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.371 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 43.9 mt -59.83 -40.72 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 122.506 0.323 . . . . 25.0 110.435 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 862' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -65.23 -33.52 76.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -8.67 35.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.514 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.4 ttm -79.2 152.92 30.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.506 -0.746 . . . . 25.0 112.007 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.02 134.51 89.68 Favored Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 120.083 -0.647 . . . . 25.0 109.984 -173.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.07 89.57 1.16 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 124.088 3.192 . . . . 25.0 114.462 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -91.23 103.04 15.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.764 0.792 . . . . 25.0 109.379 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 50.9 p -140.92 159.62 41.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.1 -177.53 35.63 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 107.65 -2.18 . . . . 25.0 107.65 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.07 -27.15 14.26 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 CA-C-N 119.497 1.648 . . . . 25.0 114.187 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -91.91 -6.21 51.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.285 1.041 . . . . 25.0 108.862 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 13.4 m -96.51 161.0 14.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.487 -1.233 . . . . 25.0 109.589 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.81 156.67 40.57 Favored Pre-proline 0 C--N 1.313 -1.019 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.58 11.64 1.02 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 N-CA-C 114.51 0.927 . . . . 25.0 114.51 -174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -145.47 53.51 0.56 Allowed Glycine 0 C--O 1.222 -0.617 0 N-CA-C 111.115 -0.794 . . . . 25.0 111.115 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.8 140.49 47.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.9 mt -141.98 153.68 44.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.204 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 23.6 t0 -92.05 108.85 20.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.435 0.636 . . . . 25.0 110.517 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.778 -1.101 . . . . 25.0 111.748 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -92.22 -25.25 18.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.709 1.004 . . . . 25.0 113.709 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 14.2 t -102.75 18.22 21.94 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.514 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 2.9 p90 -49.21 153.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.7 m -77.49 130.51 37.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.899 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.7 p -79.53 -5.72 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.612 0.72 . . . . 25.0 109.077 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -103.75 149.13 25.28 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 mp -75.29 168.63 19.62 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 887' ' ' TYR . . . . . 0.437 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 38.0 p90 -57.2 36.24 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 118.503 2.779 . . . . 25.0 118.503 173.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -97.16 42.34 2.18 Favored Glycine 0 C--N 1.319 -0.378 0 O-C-N 121.178 -0.951 . . . . 25.0 113.113 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -60.32 131.24 50.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.362 0.601 . . . . 25.0 110.286 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.5 m -138.41 42.59 2.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 25.0 110.854 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -143.59 155.44 44.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 117.681 -1.152 . . . . 25.0 112.152 -174.793 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 111.879 -0.489 . . . . 25.0 111.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 66.3 m -150.22 -57.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.091 0.557 . . . . 25.0 111.808 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.2 p 177.93 -153.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.1 OUTLIER -60.41 151.75 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.752 0.787 . . . . 25.0 111.787 176.356 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.7 t -97.42 159.01 15.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.737 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.582 . . . . 25.0 109.845 174.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.43 -36.23 29.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.78 -0.368 . . . . 25.0 110.188 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.453 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.9 tp60 -62.23 -41.26 98.25 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.881 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.433 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.2 ptp -72.83 -21.55 60.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -41.16 33.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.577 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.85 -36.15 50.28 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.937 -0.705 . . . . 25.0 109.824 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -72.74 -21.47 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.099 0.777 . . . . 25.0 113.099 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.67 -19.58 63.98 Favored 'General case' 0 C--O 1.2 -1.522 0 O-C-N 121.211 -0.931 . . . . 25.0 109.077 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.49 -20.62 63.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.949 0.795 . . . . 25.0 110.806 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 6.6 t -64.71 -13.11 53.19 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.929 -0.482 . . . . 25.0 110.806 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -23.16 55.95 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.103 1.149 . . . . 25.0 114.103 171.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.19 -10.38 13.86 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.625 0.25 . . . . 25.0 111.551 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -63.77 -58.05 8.04 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.13 6.13 35.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.611 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 33.4 t0 -59.7 104.54 0.29 Allowed 'General case' 0 CA--C 1.495 -1.168 0 CA-C-O 122.001 0.905 . . . . 75.0 111.432 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.489 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 44.0 mtt180 -55.19 -34.86 64.23 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 112.965 -1.925 . . . . 25.0 113.747 -174.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.45 3.48 13.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.628 -0.715 . . . . 50.0 110.828 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 57.79 33.53 23.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.141 1.534 . . . . 25.0 115.141 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 -18.14 60.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.59 18.19 45.94 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 109.766 -1.333 . . . . 25.0 109.766 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.5 p -154.48 135.74 14.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.97 126.88 42.43 Favored 'General case' 0 C--O 1.201 -1.484 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.21 -170.22 38.77 Favored Glycine 0 C--O 1.193 -2.434 0 N-CA-C 109.101 -1.6 . . . . 25.0 109.101 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -60.95 -58.44 0.46 Allowed 'Trans proline' 0 C--N 1.327 -0.572 0 CA-C-N 120.946 2.373 . . . . 25.0 113.685 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.55 -16.89 64.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.468 0.652 . . . . 25.0 111.074 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.489 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 11.3 mt-10 -87.57 -44.46 11.23 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 120.374 -0.531 . . . . 50.0 110.823 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.456 ' CG ' HG21 ' A' ' 807' ' ' VAL . 30.2 t80 -59.45 -39.24 82.98 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 123.708 0.803 . . . . 25.0 110.985 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -22.15 66.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.163 -0.471 . . . . 25.0 110.746 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.74 -35.89 20.51 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.37 -44.76 95.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.915 0.864 . . . . 25.0 110.062 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 19.8 mt -61.79 -18.8 61.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.845 1.795 . . . . 25.0 115.845 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.2 -36.77 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 26.2 t -73.51 -9.07 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.209 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.18 -10.39 14.98 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.052 0.22 . . . . 25.0 111.28 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.23 54.53 3.52 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 118.862 -1.637 . . . . 25.0 111.847 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -64.56 159.43 21.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 117.038 2.236 . . . . 25.0 117.038 -179.598 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -95.29 21.17 8.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.281 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.56 165.35 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.758 -1.11 . . . . 25.0 109.379 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.1 -170.42 18.04 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 105.747 -2.941 . . . . 25.0 105.747 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.51 9.11 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.825 0.813 . . . . 25.0 110.804 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.74 154.1 68.25 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.847 . . . . 25.0 109.283 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.26 -25.19 50.04 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 117.189 -1.407 . . . . 25.0 113.57 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -79.42 -43.87 22.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.04 -30.34 70.0 Favored Glycine 0 C--O 1.21 -1.374 0 C-N-CA 120.371 -0.919 . . . . 25.0 113.909 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.77 -28.78 69.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.238 1.019 . . . . 25.0 109.87 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.8 -38.58 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 794' ' ' ARG . 6.7 mm-40 -74.93 -32.15 61.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 25.0 110.82 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -44.53 95.63 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.229 -1.397 . . . . 25.0 107.229 173.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.66 72.14 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.866 -0.333 . . . . 25.0 111.837 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 791' ' ' GLU . 7.4 tmm_? -60.43 -40.62 91.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 174.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 10.9 mt -73.49 -42.29 56.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -26.24 38.68 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.135 0.493 . . . . 25.0 111.158 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -77.44 -31.97 54.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.885 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -89.47 -23.46 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.874 -0.516 . . . . 25.0 111.657 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.522 HG23 HG22 ' A' ' 807' ' ' VAL . 29.9 m -92.65 21.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.925 0.869 . . . . 25.0 109.901 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -122.36 60.91 14.0 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.63 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -70.18 -5.33 16.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 N-CA-C 114.433 0.897 . . . . 25.0 114.433 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -107.55 -1.97 20.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 56.28 41.46 29.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.964 0.905 . . . . 25.0 112.58 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.421 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.5 -8.12 18.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.933 -1.03 . . . . 25.0 110.569 177.591 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.1 20.47 64.9 Favored Glycine 0 C--O 1.233 0.093 0 C-N-CA 121.227 -0.511 . . . . 25.0 113.628 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.421 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.37 153.46 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -178.441 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.522 HG22 HG23 ' A' ' 799' ' ' VAL . 53.4 t -93.61 124.46 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.33 168.49 9.19 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 120.967 0.413 . . . . 25.0 111.51 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.474 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.04 -42.31 37.97 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 114.456 1.28 . . . . 25.0 114.456 178.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -15.85 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 25.0 110.621 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -89.22 -36.4 15.65 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.26 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 71.1 m-85 -59.77 -31.18 69.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 25.0 111.102 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.433 HG21 ' HE2' ' A' ' 748' ' ' MET . 11.6 mm -61.75 -31.58 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.595 0.712 . . . . 25.0 110.685 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.69 -48.43 40.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.786 -1.097 . . . . 25.0 110.716 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.73 -39.2 62.01 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 120.953 0.406 . . . . 25.0 111.346 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.402 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.86 -33.18 64.31 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 114.043 1.127 . . . . 25.0 114.043 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 39.2 t -79.2 -19.83 49.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.25 -1.531 . . . . 25.0 110.44 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -18.51 61.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.543 0.337 . . . . 25.0 111.705 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.63 -17.47 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.707 1.203 . . . . 25.0 111.986 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.9 p -73.76 8.75 1.76 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -128.17 151.84 48.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.24 0.616 . . . . 25.0 109.854 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.32 151.21 46.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.886 1.439 . . . . 25.0 114.886 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.88 171.35 14.18 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.608 172.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.9 -40.33 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.777 0.799 . . . . 25.0 110.181 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.6 p -68.63 -19.27 64.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.319 -0.855 . . . . 25.0 110.68 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.21 -22.43 62.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -35.02 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.78 0.8 . . . . 25.0 110.39 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -71.55 -42.35 67.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.65 . . . . 25.0 112.263 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.8 p -74.94 -30.09 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.396 -0.521 . . . . 25.0 110.013 -173.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.16 -13.03 61.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.72 -19.54 62.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.624 -0.673 . . . . 25.0 110.699 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.9 p -57.32 -27.3 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.65 -27.52 68.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.41 -37.31 80.2 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.843 -0.535 . . . . 25.0 109.604 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.82 -38.64 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.954 -1.128 . . . . 25.0 107.954 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -44.71 96.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.643 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.24 79.75 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.054 0.93 . . . . 25.0 109.468 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 85.82 -102.52 2.67 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 106.141 -2.784 . . . . 25.0 106.141 -171.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -123.59 2.55 8.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.832 1.419 . . . . 25.0 114.832 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.92 152.88 43.19 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -81.06 1.06 33.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 115.096 1.517 . . . . 25.0 115.096 -174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -152.29 160.81 43.28 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -111.49 149.26 14.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.57 -1.641 . . . . 25.0 106.57 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.0 p -87.83 152.33 22.18 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 106.544 -1.65 . . . . 25.0 106.544 173.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.1 mtt -56.36 -34.51 66.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 121.208 0.528 . . . . 25.0 109.689 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -71.97 -25.56 61.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -71.03 -37.18 72.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.34 -39.41 81.9 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -75.51 11.48 1.27 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.097 0.559 . . . . 25.0 112.5 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.6 -41.04 4.42 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -82.89 -26.97 31.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.36 90.87 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.63 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.39 -33.04 75.32 Favored 'Trans proline' 0 CA--C 1.577 2.645 0 N-CA-C 117.986 2.264 . . . . 25.0 117.986 165.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 26.5 Cg_endo -86.64 -165.76 0.27 Allowed 'Trans proline' 0 C--N 1.364 1.359 0 N-CA-C 116.909 1.85 . . . . 25.0 116.909 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -22.16 8.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -60.64 -28.13 68.32 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.564 -0.71 . . . . 25.0 110.499 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.385 -0.822 . . . . 25.0 111.976 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.73 -33.4 70.8 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.904 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.68 71.54 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 173.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.044 -0.262 . . . . 25.0 110.856 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.55 -41.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 110.882 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.98 67.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.05 -4.94 21.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -79.81 154.42 28.46 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.563 -0.711 . . . . 25.0 111.323 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -71.77 136.48 82.91 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.728 -174.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.18 92.29 1.0 Allowed 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 124.223 3.282 . . . . 25.0 114.361 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.85 107.85 19.69 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.606 0.717 . . . . 25.0 112.232 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.1 p -131.96 156.53 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.46 176.33 38.7 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 109.539 -1.424 . . . . 25.0 109.539 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.74 -26.35 16.12 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 121.814 1.676 . . . . 25.0 114.004 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.18 5.37 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.644 1.211 . . . . 25.0 108.445 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 13.2 m -117.87 170.26 8.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.914 -1.494 . . . . 25.0 109.752 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.54 157.03 41.38 Favored Pre-proline 0 CA--C 1.495 -1.169 0 N-CA-C 106.203 -1.777 . . . . 25.0 106.203 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.2 -10.45 27.29 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 117.563 -1.158 . . . . 25.0 112.541 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -101.79 40.14 2.52 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-O 119.525 -0.597 . . . . 25.0 111.953 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.9 138.31 49.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.0 mt -142.0 150.7 41.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.617 0.228 . . . . 25.0 111.617 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 27.2 t0 -89.07 107.6 19.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.532 0.682 . . . . 25.0 110.957 177.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -69.63 -33.42 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.526 -1.215 . . . . 25.0 112.009 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -92.75 -23.44 18.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.9 t -107.75 21.34 17.57 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.161 0.505 . . . . 25.0 109.975 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.3 p90 -49.35 157.57 0.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.484 1.29 . . . . 25.0 114.484 176.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.0 t -84.62 125.1 32.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.412 -0.813 . . . . 25.0 111.042 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.7 p -77.22 -12.86 60.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -91.35 131.27 36.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.452 -1.314 . . . . 25.0 107.452 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.5 153.55 41.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.331 -0.85 . . . . 25.0 110.532 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -44.26 -36.37 2.7 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.37 1.248 . . . . 25.0 114.37 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 71.47 -135.62 23.89 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.812 -0.709 . . . . 25.0 113.607 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -106.53 40.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.371 0.605 . . . . 25.0 109.793 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 23.3 p -87.48 165.29 15.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.958 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -145.99 -57.63 0.3 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 116.514 -1.708 . . . . 25.0 107.768 177.647 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.615 0 CA-C-O 119.869 -0.406 . . . . 25.0 113.242 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.6 m 54.2 47.0 24.12 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 118.224 2.676 . . . . 25.0 118.224 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.2 p -139.11 123.27 18.0 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 116.144 1.905 . . . . 25.0 116.144 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 153.34 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 172.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.4 t -97.55 156.5 16.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 25.0 109.837 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.36 -30.54 71.66 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.93 -36.93 56.23 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.267 -0.271 . . . . 25.0 110.863 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -61.26 -40.84 95.57 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 121.532 0.682 . . . . 25.0 109.998 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.548 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.3 ptp -74.95 -21.32 59.24 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.87 -30.26 26.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.753 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.41 -40.46 17.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.0 t80 -69.86 -20.12 63.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -60.89 -19.96 61.18 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.16 -23.45 62.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.958 0.799 . . . . 25.0 110.068 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -16.26 48.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.12 0.485 . . . . 25.0 110.59 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -23.54 44.34 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.39 -4.89 12.91 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.782 0.325 . . . . 25.0 111.342 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -68.34 -56.25 9.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.953 0.406 . . . . 25.0 112.07 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.415 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.1 m-85 -101.83 4.11 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 16.7 t0 -57.7 104.43 0.18 Allowed 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.938 0.875 . . . . 50.0 111.951 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.506 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.1 OUTLIER -57.5 -35.42 70.2 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.946 -174.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -115.75 -3.66 12.22 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.525 0.516 . . . . 50.0 110.293 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 63.32 30.88 15.59 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 51.8 p -68.97 -10.84 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.417 0.687 . . . . 25.0 112.557 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.93 15.69 60.78 Favored Glycine 0 CA--C 1.51 -0.281 0 N-CA-C 107.646 -2.182 . . . . 25.0 107.646 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.7 p -154.46 136.54 14.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.838 -1.181 . . . . 25.0 108.869 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -95.16 124.78 39.39 Favored 'General case' 0 C--O 1.194 -1.82 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.15 -166.09 33.23 Favored Glycine 0 C--O 1.196 -2.261 0 N-CA-C 109.491 -1.444 . . . . 25.0 109.491 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -62.33 -59.46 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 120.878 2.339 . . . . 25.0 113.857 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.91 -16.61 64.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 122.119 0.961 . . . . 25.0 111.524 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.506 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 19.9 mt-10 -86.66 -46.67 9.85 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.816 -0.754 . . . . 50.0 109.833 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.499 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.4 t80 -58.4 -41.51 85.07 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.66 0.784 . . . . 25.0 111.28 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.06 67.57 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 116.247 -0.433 . . . . 25.0 110.171 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.25 -34.4 21.97 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.313 0.506 . . . . 25.0 110.494 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.415 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.8 t -62.39 -46.84 86.82 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.45 -19.58 37.88 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 116.79 2.145 . . . . 25.0 116.79 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.56 -39.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.1 m -77.88 -10.02 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.973 -176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.33 -9.06 22.7 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.107 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 779' ' ' GLY . . . . . 0.422 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 80.66 53.84 3.89 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 118.658 -1.734 . . . . 25.0 111.059 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.76 163.79 8.81 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 116.698 2.11 . . . . 25.0 116.698 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.48 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 51.7 p30 -97.45 17.61 17.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.349 -0.841 . . . . 25.0 110.539 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.44 171.25 18.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 114.957 -1.02 . . . . 25.0 110.082 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.43 -171.94 17.81 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 104.322 -3.511 . . . . 25.0 104.322 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.18 22.46 2.44 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.735 1.267 . . . . 25.0 109.823 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.16 153.78 92.39 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.5 -23.23 50.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 116.195 -2.07 . . . . 25.0 111.667 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -73.87 -46.76 42.77 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.62 -32.6 81.97 Favored Glycine 0 C--O 1.206 -1.631 0 C-N-CA 120.919 -0.657 . . . . 25.0 112.365 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.62 -29.79 70.8 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 117.94 0.87 . . . . 25.0 110.768 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.91 55.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.39 -35.58 75.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.415 -0.812 . . . . 25.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.401 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.6 OUTLIER -62.72 -44.96 94.87 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 177.01 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.07 75.03 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.472 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -60.03 -43.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 792' ' ' PHE . 9.1 mt -70.45 -42.6 78.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -27.93 26.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.466 0.65 . . . . 25.0 110.677 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 30.4 t -78.92 -27.87 43.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.816 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.0 pt -92.2 -23.66 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.407 0.549 . . . . 25.0 112.179 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.53 HG23 HG22 ' A' ' 807' ' ' VAL . 35.0 m -90.03 21.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 122.428 1.108 . . . . 25.0 109.852 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -124.2 59.17 17.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.483 -1.235 . . . . 25.0 108.863 175.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.21 -4.43 14.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 114.801 1.039 . . . . 25.0 114.801 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -108.48 -1.69 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 56.94 40.51 28.75 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.06 -8.16 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.819 -1.082 . . . . 25.0 110.88 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.53 24.07 63.67 Favored Glycine 0 N--CA 1.459 0.225 0 C-N-CA 121.277 -0.487 . . . . 25.0 113.804 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.53 154.04 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -179.228 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.53 HG22 HG23 ' A' ' 799' ' ' VAL . 54.4 t -96.41 125.88 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 122.675 0.39 . . . . 25.0 109.998 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.06 169.68 8.41 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.638 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.47 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.19 -43.6 42.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -17.69 60.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.266 0.555 . . . . 25.0 110.236 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.44 -37.6 19.59 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-O 121.538 0.685 . . . . 25.0 111.148 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.47 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 66.5 m-85 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.012 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.548 HG21 ' HE1' ' A' ' 748' ' ' MET . 9.5 mm -61.1 -32.34 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.888 0.851 . . . . 25.0 110.365 -176.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.34 -50.36 9.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.16 -1.382 . . . . 25.0 110.624 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.48 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 1.6 t80 -77.03 -42.46 38.43 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 119.996 -0.682 . . . . 25.0 111.749 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.15 34.52 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 114.566 1.321 . . . . 25.0 114.566 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 -20.12 50.13 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.088 -1.632 . . . . 25.0 110.86 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -78.27 -21.64 49.51 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.174 0.511 . . . . 25.0 110.417 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.432 ' HB3' HE21 ' A' ' 856' ' ' GLN . 1.7 tt0 -59.74 -7.41 1.58 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.326 1.45 . . . . 25.0 112.556 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 74.8 p -80.35 -0.82 38.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.775 -0.578 . . . . 25.0 111.651 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -110.01 161.08 15.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.834 0.454 . . . . 25.0 110.266 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.46 148.41 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.81 159.74 41.5 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 121.854 0.062 . . . . 25.0 111.139 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.39 -35.73 79.9 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.914 1.34 . . . . 25.0 109.943 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' THR . . . . . 0.422 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 2.9 p -74.92 -16.32 60.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 112.344 -2.207 . . . . 25.0 113.209 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.466 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -48.53 -26.46 2.19 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -177.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.85 -37.8 74.52 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.996 0.903 . . . . 25.0 110.192 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -68.75 -39.95 80.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.948 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 826' ' ' ALA . 7.8 p -76.72 -36.33 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 -177.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 95.1 mtp -66.27 -16.26 63.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.74 62.81 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 122.116 -0.365 . . . . 25.0 111.155 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 99.6 p -62.33 -24.92 67.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.247 -0.283 . . . . 25.0 111.647 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -65.62 -22.71 66.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.215 -0.303 . . . . 25.0 111.759 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -69.09 -36.96 78.16 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.65 -41.35 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.516 -1.29 . . . . 25.0 107.516 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -46.39 89.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.492 -0.776 . . . . 25.0 111.044 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.65 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.147 0.975 . . . . 25.0 108.763 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 87.78 -102.34 2.8 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -114.98 3.44 14.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.715 0.757 . . . . 25.0 112.984 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 18.3 ptmt -89.54 155.04 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -79.13 -11.49 59.98 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.571 1.323 . . . . 25.0 114.571 -176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -136.93 169.05 18.41 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' A' ' 847' ' ' GLU . 2.4 tp -123.05 146.88 27.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 105.321 -2.103 . . . . 25.0 105.321 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 44.2 p -85.56 152.8 22.87 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.147 -2.168 . . . . 25.0 105.147 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.1 mtt -54.28 -37.07 64.33 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 173.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.99 -31.19 69.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.265 -0.88 . . . . 25.0 113.245 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.426 ' HB2' HG13 ' A' ' 843' ' ' ILE . 8.5 mt-10 -66.22 -37.97 86.82 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.42 -43.83 80.27 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -76.5 28.21 0.12 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.289 0.636 . . . . 25.0 111.403 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -127.57 -34.0 2.26 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.492 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 15.1 pt-20 -96.77 -25.89 15.34 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.76 -1.564 . . . . 25.0 107.093 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.6 mt -119.57 81.83 24.81 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 123.179 0.592 . . . . 25.0 110.404 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -63.16 -22.17 72.77 Favored 'Trans proline' 0 CA--C 1.575 2.547 1 C-N-CA 113.178 -4.081 . . . . 25.0 116.948 167.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.417 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 39.8 Cg_endo -81.9 -167.4 0.48 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 N-CA-C 116.731 1.781 . . . . 25.0 116.731 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -25.89 4.95 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 116.738 2.125 . . . . 25.0 116.738 176.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 856' ' ' GLN . . . . . 0.432 HE21 ' HB3' ' A' ' 819' ' ' GLU . 15.5 mp0 -57.22 -30.17 64.36 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.7 71.3 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 121.826 -0.546 . . . . 25.0 110.943 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.35 -36.49 76.94 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 120.211 -0.596 . . . . 25.0 110.651 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -53.31 59.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.1 -42.46 99.59 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.996 0.369 . . . . 25.0 111.996 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.18 -41.34 86.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.28 -17.44 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.34 5.83 13.62 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 121.993 -0.442 . . . . 25.0 110.53 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -89.98 162.46 15.38 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.93 -0.482 . . . . 25.0 111.579 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -79.69 132.92 59.94 Favored Pre-proline 0 C--O 1.22 -0.487 0 O-C-N 122.17 -0.331 . . . . 25.0 110.822 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.63 87.69 0.94 Allowed 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.77 2.98 . . . . 25.0 114.479 -176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -90.19 107.91 19.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.06 0.933 . . . . 25.0 112.514 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 76.5 p -131.26 162.38 30.14 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 148.77 177.48 23.02 Favored Glycine 0 C--O 1.225 -0.451 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -74.92 -21.7 15.77 Favored 'Trans proline' 0 C--O 1.22 -0.384 0 C-N-CA 122.405 2.07 . . . . 25.0 114.163 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -97.44 5.15 50.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 6.5 t -112.06 -177.88 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.291 -1.322 . . . . 25.0 109.533 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.31 156.04 80.03 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.11 -0.95 . . . . 25.0 108.676 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.05 96.11 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 O-C-N 122.504 0.739 . . . . 25.0 112.138 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 117.37 44.92 0.54 Allowed Glycine 0 C--O 1.222 -0.645 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.54 137.5 50.67 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.3 mt -142.15 145.48 34.25 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 122.811 0.069 . . . . 25.0 110.866 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.48 115.57 22.13 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.556 -0.858 . . . . 25.0 110.459 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -67.18 -40.47 86.56 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.542 0.526 . . . . 25.0 111.827 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.19 -30.2 18.72 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.1 t -97.82 17.56 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.784 0.326 . . . . 25.0 110.174 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.483 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 15.9 p90 -44.15 151.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 m -65.66 123.01 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.526 -1.216 . . . . 25.0 111.9 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 64.7 p -75.56 -5.34 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.393 0.616 . . . . 25.0 109.544 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -108.54 130.38 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.05 135.87 57.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 59.61 27.48 16.7 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.067 0.855 . . . . 25.0 110.532 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -75.69 27.93 1.31 Allowed Glycine 0 C--O 1.223 -0.541 0 CA-C-N 114.761 -1.109 . . . . 25.0 115.761 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -92.98 -4.25 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.364 0.602 . . . . 25.0 109.441 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 26.4 m -81.48 116.51 21.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.392 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.95 -33.73 51.43 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.31 0.576 . . . . 25.0 111.13 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--O 1.251 1.177 0 CA-C-O 116.59 -1.671 . . . . 25.0 107.944 -177.806 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.721 0 CA-C-O 116.968 -2.018 . . . . 25.0 110.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 p -61.36 137.4 58.24 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 119.609 1.704 . . . . 25.0 107.89 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 69.99 -56.22 0.58 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.323 1.449 . . . . 25.0 114.457 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.0 OUTLIER -115.47 146.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 117.566 2.432 . . . . 25.0 117.566 -176.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.401 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 83.2 p -97.5 168.0 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.37 -0.832 . . . . 25.0 109.886 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -68.4 -27.84 66.56 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.276 -0.42 . . . . 25.0 110.447 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.93 -39.16 26.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.096 -0.335 . . . . 25.0 110.096 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -60.23 -39.2 85.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.086 0.469 . . . . 25.0 110.873 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.31 -21.06 58.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.6 -33.23 31.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.864 -0.334 . . . . 25.0 110.655 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.49 -38.48 26.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 47.3 t80 -73.22 -21.3 60.67 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -63.49 -19.85 65.11 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.77 68.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-O 122.054 0.93 . . . . 25.0 112.789 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.3 p -58.4 -22.57 54.45 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.135 -0.978 . . . . 25.0 110.008 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -23.49 22.7 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.37 -2.19 10.64 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -68.24 -57.45 5.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.539 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -104.14 5.83 35.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.656 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -57.19 103.82 0.14 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 122.395 1.093 . . . . 50.0 112.385 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 34.1 ttp180 -53.88 -37.68 63.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.002 -1.908 . . . . 25.0 113.462 -175.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.45 4.93 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.08 -0.509 . . . . 50.0 110.905 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 56.82 34.99 25.64 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.212 1.006 . . . . 25.0 112.531 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 63.0 p -75.58 -6.44 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.608 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.35 14.56 68.38 Favored Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.36 14.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.606 -1.297 . . . . 25.0 109.22 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.7 129.13 40.13 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.445 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.8 -166.72 40.88 Favored Glycine 0 C--O 1.195 -2.339 0 N-CA-C 108.63 -1.788 . . . . 25.0 108.63 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.84 -63.72 0.12 Allowed 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 120.956 2.378 . . . . 25.0 114.325 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.39 -16.73 64.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.897 0.856 . . . . 25.0 110.548 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 15.0 mt-10 -85.15 -45.88 11.63 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 119.427 -0.909 . . . . 50.0 109.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.2 t80 -59.05 -42.29 89.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 123.383 0.673 . . . . 25.0 111.09 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -23.72 67.37 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.016 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.62 -35.06 21.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.12 -44.87 95.7 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 19.0 mt -60.35 -21.23 61.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 116.04 1.867 . . . . 25.0 116.04 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 34.6 mt -63.81 -36.72 77.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.4 t -73.01 -5.3 37.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.195 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.91 -22.18 12.31 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.019 0.2 . . . . 25.0 111.502 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.52 51.8 2.11 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 119.446 -1.359 . . . . 25.0 110.608 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -61.07 165.34 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 117.404 2.372 . . . . 25.0 117.404 179.635 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.404 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 31.4 p-10 -99.15 15.12 27.0 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.937 0.895 . . . . 25.0 110.991 -175.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.98 172.12 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -158.99 -164.37 14.31 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 107.322 -2.311 . . . . 25.0 107.322 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -83.8 23.29 1.01 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.856 0.836 . . . . 25.0 109.191 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.67 154.53 73.55 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.101 -0.954 . . . . 25.0 110.937 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -64.81 -23.07 62.96 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.281 -1.346 . . . . 25.0 113.349 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -87.13 -45.28 10.83 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.58 90.32 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 120.668 -0.777 . . . . 25.0 114.891 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -65.3 -26.67 68.16 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 118.518 1.159 . . . . 25.0 110.492 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.93 -41.31 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.57 -34.07 71.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.095 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -49.21 76.61 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.95 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 25.0 111.62 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.27 -40.14 96.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.57 -42.12 63.35 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.72 32.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.29 0.567 . . . . 25.0 111.272 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 33.4 t -83.05 -18.41 39.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.451 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.3 pt -99.23 -23.55 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 807' ' ' VAL . 27.5 m -92.42 23.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.827 0.822 . . . . 25.0 111.192 -177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.78 64.17 31.19 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 121.952 0.882 . . . . 25.0 108.837 167.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.16 5.87 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.538 2.158 . . . . 25.0 115.977 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -113.66 -0.77 14.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.109 -1.812 . . . . 25.0 106.109 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 56.32 39.9 30.0 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.083 1.353 . . . . 25.0 114.026 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -6.25 21.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.764 -1.107 . . . . 25.0 112.27 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.02 25.6 63.93 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.926 -0.654 . . . . 25.0 113.83 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.68 152.82 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 799' ' ' VAL . 45.0 t -90.73 126.05 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.06 0.457 . . . . 25.0 109.787 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.1 p -105.6 165.65 11.0 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.326 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.483 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -50.46 -42.15 53.97 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 178.342 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.51 -18.14 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.173 0.511 . . . . 25.0 110.28 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.6 18.75 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.131 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.483 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.6 m-85 -57.08 -33.07 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.517 0.675 . . . . 25.0 110.993 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.8 -32.74 50.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.173 -0.922 . . . . 25.0 111.016 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.55 -46.93 57.86 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.258 -0.883 . . . . 25.0 110.348 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.404 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.0 t80 -75.2 -37.99 60.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.986 0.898 . . . . 25.0 110.673 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.459 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -59.24 -27.41 65.75 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 121.063 -1.023 . . . . 25.0 112.505 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -22.51 32.41 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.694 -1.254 . . . . 25.0 110.179 176.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -69.77 -22.14 63.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.737 -0.665 . . . . 25.0 110.613 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -49.67 -30.1 8.51 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.708 1.603 . . . . 25.0 114.671 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 76.4 p -70.17 3.69 2.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.11 -152.29 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 121.453 0.644 . . . . 25.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.02 149.0 46.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.14 163.14 38.44 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -75.9 -41.72 51.1 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.534 1.159 . . . . 25.0 109.513 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 41.0 p -66.7 -16.31 64.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.713 -1.131 . . . . 25.0 110.876 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.45 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -57.48 -24.52 56.27 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.9 -33.84 72.39 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.897 0.856 . . . . 25.0 110.347 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.84 -38.03 67.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.808 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 826' ' ' ALA . 12.1 p -81.52 -35.71 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.184 -0.607 . . . . 25.0 111.438 -175.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -66.27 -18.04 65.12 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.722 -0.611 . . . . 25.0 110.842 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.13 -28.93 63.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.256 0.55 . . . . 25.0 109.679 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 835' ' ' ILE . 7.7 m -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.458 0.911 . . . . 25.0 113.458 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.35 -26.64 68.85 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.763 -0.586 . . . . 25.0 111.092 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.84 70.12 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.117 -0.698 . . . . 25.0 109.117 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 832' ' ' SER . 3.8 mp -77.13 -39.48 28.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -47.09 85.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.457 -0.792 . . . . 25.0 110.387 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -70.16 -41.95 73.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.048 0.928 . . . . 25.0 109.911 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.3 -86.87 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.607 -0.997 . . . . 25.0 110.607 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -115.03 -24.34 8.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -69.77 150.66 46.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.3 0.572 . . . . 25.0 110.929 -173.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -83.94 2.05 40.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -149.51 161.16 42.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 105.2 -2.148 . . . . 25.0 105.2 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -112.75 150.85 14.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.178 -1.786 . . . . 25.0 106.178 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 70.5 p -91.15 154.71 19.15 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.3 mtt -57.55 -34.21 68.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.67 -33.12 75.21 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.326 -0.852 . . . . 25.0 111.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.45 -36.94 71.41 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.988 -0.445 . . . . 25.0 110.53 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.98 -38.76 83.11 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -75.04 7.24 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.42 -32.66 8.92 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.999 -1.112 . . . . 25.0 107.999 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -93.68 -28.14 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.281 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.5 90.98 46.32 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.74 0.416 . . . . 25.0 111.298 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.69 -28.5 76.66 Favored 'Trans proline' 0 CA--C 1.57 2.279 0 C-N-CA 114.616 -3.123 . . . . 25.0 117.058 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.401 ' HB3' ' H ' ' A' ' 744' ' ' SER . 57.1 Cg_endo -76.89 -172.36 1.4 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 116.602 -1.799 . . . . 25.0 116.649 176.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -16.4 2.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.798 1.639 . . . . 25.0 111.769 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -34.43 61.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.13 82.89 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.766 -0.374 . . . . 25.0 110.818 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.34 -32.87 66.86 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.416 -0.514 . . . . 25.0 112.315 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -50.98 68.94 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 172.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.63 -42.67 98.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.455 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.88 -41.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 122.853 0.461 . . . . 25.0 110.212 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -12.13 50.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.808 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.484 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -81.09 153.14 27.49 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.142 -0.349 . . . . 25.0 111.225 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.8 133.13 86.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.338 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.4 88.62 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.549 2.832 . . . . 25.0 115.26 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -89.85 98.37 11.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 47.6 p -141.54 163.55 32.63 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 157.52 178.21 31.35 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 106.932 -2.467 . . . . 25.0 106.932 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.49 -26.22 17.1 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 CA-C-N 119.401 1.6 . . . . 25.0 113.837 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -89.37 -3.77 58.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.173 0.987 . . . . 25.0 109.412 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 8.3 t -109.26 -175.08 2.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.318 -1.31 . . . . 25.0 108.846 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 156.22 41.82 Favored Pre-proline 0 C--N 1.316 -0.887 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.38 11.69 1.22 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 N-CA-C 114.168 0.796 . . . . 25.0 114.168 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -145.36 46.64 0.77 Allowed Glycine 0 C--O 1.222 -0.606 0 CA-C-O 119.095 -0.836 . . . . 25.0 114.445 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 139.59 48.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.98 149.96 40.75 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.389 0.144 . . . . 25.0 111.389 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -90.73 110.01 21.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.509 0.671 . . . . 25.0 110.544 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -70.11 -36.43 74.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.659 -1.155 . . . . 25.0 111.926 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -89.26 -25.97 21.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.2 t -103.95 20.27 18.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.651 0.262 . . . . 25.0 110.99 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 4.4 p90 -44.38 153.58 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.547 2.054 . . . . 25.0 116.547 177.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 8.4 m -68.35 120.35 14.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.806 -1.088 . . . . 25.0 112.974 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.3 p -71.89 -22.11 61.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.373 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -102.72 26.41 8.05 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.633 -0.258 . . . . 25.0 110.702 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 886' ' ' LEU . . . . . 0.404 ' HB3' ' H ' ' A' ' 887' ' ' TYR . 4.3 mp 59.26 -151.03 0.42 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.265 -1.384 . . . . 25.0 107.265 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 887' ' ' TYR . . . . . 0.404 ' H ' ' HB3' ' A' ' 886' ' ' LEU . 4.1 p90 -74.1 11.17 0.97 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.274 0.63 . . . . 25.0 112.272 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -108.15 15.69 36.18 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 120.049 -0.306 . . . . 25.0 112.901 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.23 133.73 54.75 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.105 0.452 . . . . 25.0 110.341 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 1.4 t -162.06 -163.13 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -143.3 173.99 11.12 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.879 -1.526 . . . . 25.0 106.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.451 -0.785 . . . . 25.0 112.154 -176.068 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -2.458 0 CA-C-O 119.162 -0.799 . . . . 25.0 111.4 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 p -66.01 120.54 13.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 119.237 1.519 . . . . 25.0 113.096 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.6 m 62.45 -175.6 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.152 1.381 . . . . 25.0 113.832 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.54 149.21 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.1 t -95.27 155.94 16.53 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.99 -0.444 . . . . 25.0 109.864 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.22 -28.76 69.91 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.88 -36.72 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.723 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -62.33 -41.61 98.7 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 121.472 0.654 . . . . 25.0 110.038 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.502 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.1 ptp -72.49 -21.04 61.27 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -42.32 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.714 -0.395 . . . . 25.0 110.632 -175.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -38.39 63.79 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.4 t80 -70.51 -27.34 64.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -20.92 66.37 Favored 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.85 -23.33 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 118.454 0.57 . . . . 25.0 109.751 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.4 t -63.07 -13.24 33.56 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.048 -0.407 . . . . 25.0 110.883 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -56.02 -23.76 35.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.72 -13.31 12.68 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.769 0.319 . . . . 25.0 111.399 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.06 -51.93 48.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.175 0.805 . . . . 25.0 113.175 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.52 1.44 38.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.361 -0.381 . . . . 25.0 111.637 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.431 ' HA ' HD13 ' A' ' 766' ' ' LEU . 20.8 t0 -56.62 103.0 0.09 Allowed 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.839 0.828 . . . . 50.0 111.781 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.517 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 38.8 mtt180 -55.41 -35.6 65.54 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 114.056 -1.429 . . . . 25.0 113.645 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -115.61 -3.09 12.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.848 -0.614 . . . . 75.0 111.025 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 60.39 33.04 20.77 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.074 1.509 . . . . 25.0 115.074 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 59.5 p -70.3 -10.43 58.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.341 0.656 . . . . 25.0 112.431 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.83 16.4 56.44 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 107.582 -2.207 . . . . 25.0 107.582 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.95 137.56 13.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.721 -0.74 . . . . 25.0 109.718 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -92.78 125.59 37.47 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.417 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -84.26 -164.71 37.98 Favored Glycine 0 C--O 1.198 -2.097 0 N-CA-C 109.413 -1.475 . . . . 25.0 109.413 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.79 -60.76 0.19 Allowed 'Trans proline' 0 C--N 1.33 -0.444 0 CA-C-N 120.874 2.337 . . . . 25.0 114.881 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.48 -16.88 64.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.963 0.887 . . . . 25.0 110.928 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.517 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 7.0 mt-10 -87.26 -46.15 9.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.242 -0.89 . . . . 50.0 109.561 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.443 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.4 t80 -59.36 -42.26 91.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 123.506 0.722 . . . . 25.0 110.768 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -22.43 66.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.65 -35.38 20.96 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.1 t -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.124 0.964 . . . . 25.0 108.555 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 20.6 mt -57.51 -18.8 20.77 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 116.587 2.069 . . . . 25.0 116.587 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.68 -39.23 83.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.9 m -75.01 -14.2 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.245 -175.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.95 -15.15 22.54 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.989 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.32 50.37 3.86 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 118.948 -1.596 . . . . 25.0 111.056 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.38 160.82 10.19 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.538 2.051 . . . . 25.0 116.538 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.37 13.44 19.46 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.817 0.818 . . . . 25.0 111.321 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.39 174.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.044 -0.98 . . . . 25.0 108.73 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.64 -160.84 9.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.898 -2.081 . . . . 25.0 107.898 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 4.95 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.684 0.742 . . . . 25.0 109.805 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -72.17 148.77 91.59 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.61 -22.9 37.34 Favored 'Trans proline' 0 CA--C 1.521 -0.161 0 CA-C-N 118.363 0.451 . . . . 25.0 112.257 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.18 -39.91 82.39 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -84.08 -30.94 27.13 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.264 -0.97 . . . . 25.0 112.657 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.97 -26.23 68.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 118.461 1.13 . . . . 25.0 110.675 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -76.01 -34.76 59.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.175 -0.92 . . . . 25.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.04 -43.22 95.5 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 175.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.54 -32.12 71.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.09 0.471 . . . . 25.0 111.416 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 792' ' ' PHE . 16.2 mt -71.48 -41.63 72.82 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -23.0 27.3 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.115 0.484 . . . . 25.0 111.271 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.6 t -80.84 -29.71 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.621 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -91.01 -23.49 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.811 -0.555 . . . . 25.0 111.91 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 807' ' ' VAL . 33.6 m -91.71 24.21 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 122.284 1.04 . . . . 25.0 109.712 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -130.94 68.51 81.96 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.232 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.66 0.47 4.81 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 N-CA-C 114.743 1.017 . . . . 25.0 114.743 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -115.21 -4.03 12.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.028 0.831 . . . . 25.0 109.594 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 51.75 41.48 29.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.112 0.965 . . . . 25.0 112.863 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.503 HD13 HG23 ' A' ' 806' ' ' VAL . 0.1 OUTLIER -97.87 -10.33 24.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.755 -1.112 . . . . 25.0 108.946 177.387 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.78 21.89 51.75 Favored Glycine 0 N--CA 1.458 0.127 0 CA-C-N 115.901 -0.591 . . . . 25.0 113.463 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.503 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -143.91 152.92 15.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.908 -0.405 . . . . 25.0 109.908 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.483 HG22 HG23 ' A' ' 799' ' ' VAL . 46.9 t -93.12 129.46 43.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.58 165.46 11.79 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.639 -0.709 . . . . 25.0 112.316 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.484 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -49.84 -40.06 40.98 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -15.98 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.599 . . . . 25.0 110.578 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -90.04 -37.25 14.41 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.157 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.484 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 65.2 m-85 -57.31 -32.22 66.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.374 0.606 . . . . 25.0 111.496 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.502 HG21 ' HE2' ' A' ' 748' ' ' MET . 8.7 mm -59.94 -33.41 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.486 -0.779 . . . . 25.0 111.014 -176.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.17 -46.06 53.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.02 -0.991 . . . . 25.0 111.056 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -74.65 -41.05 61.05 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.315 0.579 . . . . 25.0 110.221 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -34.02 58.64 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.2 t -80.88 -19.71 43.86 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.337 -1.477 . . . . 25.0 110.603 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.76 -21.55 55.05 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.602 -0.272 . . . . 25.0 111.226 176.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -58.86 -9.73 2.0 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.836 1.254 . . . . 25.0 112.923 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.4 p -70.91 1.36 5.67 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.288 -0.882 . . . . 25.0 112.72 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -112.97 152.26 29.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.93 -1.137 . . . . 25.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.2 158.62 27.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.092 0.473 . . . . 25.0 111.716 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.08 163.77 35.21 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.477 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -64.03 -34.61 78.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.486 1.136 . . . . 25.0 109.727 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 3.3 p -77.08 -13.41 59.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.717 -1.129 . . . . 25.0 112.39 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.87 -21.8 63.63 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.68 -33.56 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.911 0.862 . . . . 25.0 110.151 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -73.18 -40.61 64.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.868 -0.606 . . . . 25.0 112.541 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.6 p -77.17 -33.18 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.618 -0.433 . . . . 25.0 109.868 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 46.6 mtt -67.69 -6.07 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 25.0 112.015 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.19 64.33 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.928 -0.483 . . . . 25.0 110.971 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.5 p -60.33 -28.0 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.085 0.469 . . . . 25.0 111.337 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -66.86 -22.79 65.97 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.183 -0.323 . . . . 25.0 111.086 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -36.69 68.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.05 -43.18 89.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.61 -46.04 90.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.27 90.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.816 0.817 . . . . 25.0 109.367 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.58 -86.57 1.04 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.978 -0.629 . . . . 25.0 112.076 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.91 -19.6 10.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.7 ptmt -73.78 155.22 39.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.197 0.522 . . . . 25.0 109.806 -176.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -90.85 3.11 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -148.31 161.21 41.99 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 105.488 -2.042 . . . . 25.0 105.488 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -113.04 150.69 15.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.1 p -89.16 150.37 22.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 105.68 -1.971 . . . . 25.0 105.68 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 56.2 mtt -54.12 -34.82 61.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.483 0.659 . . . . 25.0 110.093 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.76 -27.17 63.73 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.196 0.813 . . . . 25.0 113.196 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.35 -35.03 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.2 -37.79 75.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -80.18 28.85 0.29 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.532 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -121.8 -35.92 3.12 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 -176.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.491 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -100.62 -21.71 15.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.086 -1.415 . . . . 25.0 108.683 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.491 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 9.6 mt -116.66 81.99 12.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -62.22 -25.69 77.06 Favored 'Trans proline' 0 CA--C 1.576 2.6 0 C-N-CA 113.907 -3.595 . . . . 25.0 117.249 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.15 -167.73 0.51 Allowed 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 117.005 1.887 . . . . 25.0 117.005 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.12 -20.56 26.5 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.278 -1.328 . . . . 25.0 112.218 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -35.06 71.16 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.336 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.26 -51.3 69.91 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.464 0.649 . . . . 25.0 111.324 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 858' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 858' ' ' GLU . 5.3 pt-20 -77.07 -32.05 56.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.727 -0.669 . . . . 25.0 112.087 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.96 74.71 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 171.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.71 -44.26 86.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.801 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 31.2 mt -58.21 -42.5 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.924 0.392 . . . . 25.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.1 71.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -97.27 -15.55 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.827 -0.545 . . . . 25.0 111.129 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.502 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 6.9 ttm -69.85 154.82 41.44 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.189 -0.319 . . . . 25.0 111.347 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.02 137.64 76.02 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.187 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.14 91.62 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 125.206 3.937 . . . . 25.0 112.912 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -89.99 107.81 19.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.659 1.218 . . . . 25.0 113.869 -177.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 81.2 p -125.98 166.12 17.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.123 -1.806 . . . . 25.0 106.123 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 152.48 179.28 27.94 Favored Glycine 0 C--O 1.226 -0.388 0 C-N-CA 120.324 -0.941 . . . . 25.0 111.807 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.85 -22.81 17.13 Favored 'Trans proline' 0 C--O 1.221 -0.357 0 C-N-CA 122.519 2.146 . . . . 25.0 115.148 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.51 4.11 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 8.7 t -95.99 175.11 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.771 -1.104 . . . . 25.0 109.804 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.82 157.16 79.06 Favored Pre-proline 0 CA--C 1.494 -1.19 0 CA-C-N 114.645 -1.161 . . . . 25.0 108.138 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.92 140.69 46.57 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 115.481 -2.546 . . . . 25.0 109.542 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 81.66 35.13 23.29 Favored Glycine 0 C--O 1.226 -0.353 0 C-N-CA 120.385 -0.912 . . . . 25.0 112.5 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 136.32 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.6 mt -141.95 152.04 43.13 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.949 0.099 . . . . 25.0 110.996 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.31 107.15 18.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 121.598 0.713 . . . . 25.0 111.727 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -64.64 -34.98 79.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.489 -1.232 . . . . 25.0 111.703 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -95.92 -15.0 22.67 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.4 t -114.32 20.21 15.68 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.6 p90 -48.4 156.55 0.41 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.888 1.07 . . . . 25.0 113.888 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 51.9 p -107.61 147.66 30.35 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 115.962 1.838 . . . . 25.0 115.962 -170.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.5 p -93.73 7.49 44.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 25.0 108.703 174.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -75.61 -23.13 56.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.996 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.6 mp 66.54 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 116.135 1.902 . . . . 25.0 116.135 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 57.52 30.63 19.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.376 -1.284 . . . . 25.0 111.684 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -93.22 48.64 2.41 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 114.887 -1.051 . . . . 25.0 115.067 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.23 -11.13 60.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.876 0.838 . . . . 25.0 111.617 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 48.9 m -144.74 154.37 42.65 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -117.36 -162.93 0.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.814 0.845 . . . . 25.0 110.771 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.578 -0.725 . . . . 25.0 110.862 -175.898 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.882 0 CA-C-O 118.626 -1.097 . . . . 25.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 9.1 m -28.85 90.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 119.167 3.025 . . . . 25.0 119.167 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t -162.94 132.36 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.623 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.21 156.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.918 -0.583 . . . . 25.0 109.638 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.1 t -101.01 163.1 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.027 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.39 -33.4 75.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.18 -38.34 56.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.451 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.9 tp60 -59.82 -42.19 92.97 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.426 0.454 . . . . 25.0 110.755 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.416 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.8 ptp -73.2 -22.11 60.53 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.601 -0.888 . . . . 25.0 108.601 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -41.32 30.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.991 -0.284 . . . . 25.0 111.695 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.76 -35.0 45.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.9 t80 -70.8 -28.09 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -19.96 64.93 Favored 'General case' 0 C--O 1.199 -1.589 0 O-C-N 121.24 -0.913 . . . . 25.0 109.087 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.27 61.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.766 0.712 . . . . 25.0 109.821 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -14.05 48.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.039 -0.413 . . . . 25.0 110.262 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -23.74 51.8 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 173.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.28 -16.81 13.65 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.699 0.285 . . . . 25.0 111.631 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -63.99 -51.59 63.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.09 0.92 30.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 25.0 111.556 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.455 ' HA ' HD13 ' A' ' 766' ' ' LEU . 21.7 t0 -56.99 103.91 0.13 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.835 0.826 . . . . 50.0 112.118 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 36.4 mtt180 -53.51 -38.46 63.74 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 114.206 -1.361 . . . . 25.0 114.37 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -118.99 3.98 11.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.353 0.408 . . . . 50.0 111.258 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 57.68 41.34 25.51 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 122.06 0.933 . . . . 25.0 113.289 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -13.75 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.819 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.43 15.01 57.8 Favored Glycine 0 C--O 1.228 -0.248 0 N-CA-C 107.735 -2.146 . . . . 25.0 107.735 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.7 p -155.94 138.16 14.72 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.3 mm? -89.23 129.45 35.8 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.569 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.76 -168.34 43.49 Favored Glycine 0 C--O 1.198 -2.127 0 N-CA-C 109.6 -1.4 . . . . 25.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.71 -57.58 0.43 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 120.813 2.307 . . . . 25.0 115.26 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -68.65 -16.8 63.95 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.996 0.903 . . . . 25.0 109.894 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 4.8 mt-10 -88.53 -45.78 9.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.091 -0.959 . . . . 50.0 110.619 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.498 ' CG ' HG21 ' A' ' 807' ' ' VAL . 19.9 t80 -58.63 -41.44 86.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.934 0.894 . . . . 25.0 109.994 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -21.95 66.23 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.295 -0.412 . . . . 25.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.55 -35.63 20.97 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.68 -48.11 82.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.36 -18.74 18.83 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.3 -38.66 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.6 m -76.95 -9.05 58.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.828 -0.624 . . . . 25.0 112.03 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.38 -9.41 22.26 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 79.2 41.98 12.86 Favored Glycine 0 C--O 1.225 -0.456 0 C-N-CA 118.601 -1.762 . . . . 25.0 111.242 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 163.87 0.8 Allowed 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 117.635 2.457 . . . . 25.0 117.635 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -99.45 17.92 19.1 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.565 0.698 . . . . 25.0 111.16 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.68 170.98 18.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.361 -0.836 . . . . 25.0 109.757 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -167.18 -164.9 23.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 106.924 -2.47 . . . . 25.0 106.924 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -87.92 55.21 3.37 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -114.04 153.38 46.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.089 -1.414 . . . . 25.0 107.548 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.06 -23.97 66.98 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.604 -1.131 . . . . 25.0 114.147 -175.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.04 -46.68 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.743 -0.466 . . . . 25.0 109.743 175.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.09 -29.88 73.63 Favored Glycine 0 C--O 1.212 -1.265 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.59 -28.33 69.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.933 1.366 . . . . 25.0 110.659 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.85 -42.89 48.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.72 -33.61 71.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.434 -0.803 . . . . 25.0 110.091 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -48.85 74.4 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 122.359 1.076 . . . . 25.0 109.913 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 793' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 796' ' ' MET . . . -69.59 -28.95 66.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.835 -176.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.57 -38.71 91.96 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.5 mt -76.26 -36.95 31.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.423 ' HB2' ' HA ' ' A' ' 793' ' ' ALA . 0.0 OUTLIER -56.7 -23.83 44.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 123.691 1.71 . . . . 25.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.7 t -82.13 -21.69 36.53 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 113.573 -1.649 . . . . 25.0 114.103 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.92 -24.95 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.458 0 CA-C-O 125.374 2.511 . . . . 25.0 107.183 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.903 ' HA ' ' HB1' ' A' ' 811' ' ' ALA 0.295 0.5 OUTLIER -94.19 11.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 CA-C-N 110.995 -2.821 . . . . 25.0 111.351 -174.928 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -128.09 61.48 52.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 125.237 1.585 . . . . 25.0 107.711 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.05 -1.56 10.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 117.49 -1.207 . . . . 25.0 114.658 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -108.17 -3.87 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 57.15 39.57 28.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.99 0.916 . . . . 25.0 112.922 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -101.0 -7.28 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.883 -1.053 . . . . 25.0 108.659 177.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.44 21.14 65.09 Favored Glycine 0 C--O 1.235 0.16 0 C-N-CA 120.954 -0.641 . . . . 25.0 113.406 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.434 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -138.88 152.88 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 799' ' ' VAL . 48.8 t -91.85 125.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 122.914 0.486 . . . . 25.0 111.829 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 808' ' ' THR . . . . . 0.51 ' O ' ' HB3' ' A' ' 811' ' ' ALA . 0.1 OUTLIER -104.38 167.25 9.87 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.494 0.664 . . . . 25.0 111.861 -179.155 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.63 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.7 OUTLIER -60.96 -30.44 70.25 Favored 'General case' 0 C--O 1.198 -1.606 0 N-CA-C 118.512 2.782 . . . . 25.0 118.512 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -14.99 59.12 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 811' ' ' ALA . . . . . 0.903 ' HB1' ' HA ' ' A' ' 799' ' ' VAL . . . -87.88 -62.49 1.48 Allowed 'General case' 0 C--O 1.198 -1.657 0 CA-C-N 114.956 -1.02 . . . . 25.0 110.7 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.63 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 69.2 m-85 -33.49 -35.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 116.186 1.921 . . . . 25.0 116.186 173.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.416 HG21 ' HE1' ' A' ' 748' ' ' MET . 19.8 mm -57.43 -35.3 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.629 0.771 . . . . 25.0 110.993 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -45.35 -51.98 10.45 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 121.74 0.781 . . . . 25.0 109.773 173.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -69.65 -43.68 72.09 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.455 0.645 . . . . 25.0 111.155 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -31.16 61.52 Favored 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.7 t -82.71 -20.81 35.35 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.438 -1.413 . . . . 25.0 109.697 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -73.61 -21.51 60.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.481 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -14.3 11.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.354 1.062 . . . . 25.0 112.235 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 64.1 p -73.92 -3.56 29.71 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.925 -0.484 . . . . 25.0 111.443 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.2 132.07 48.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -65.55 141.69 58.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.726 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 3.7 m -140.13 157.04 46.25 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 122.493 1.139 . . . . 25.0 110.2 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -15.77 63.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.591 -1.186 . . . . 25.0 112.986 177.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.8 65.98 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.344 -0.222 . . . . 25.0 111.452 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.5 -33.07 70.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.995 0.903 . . . . 25.0 110.027 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -69.69 -40.41 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.057 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.48 -32.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 40.5 mtm -61.79 -18.85 61.47 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.84 -19.44 4.4 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 90.5 p -52.68 -30.39 31.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.944 0.498 . . . . 25.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' PHE . . . . . 0.409 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -62.43 -22.24 66.03 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.4 -0.813 . . . . 25.0 112.669 179.105 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -79.9 -34.79 38.77 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 120.978 -1.076 . . . . 25.0 108.592 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.29 -43.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.79 -46.45 89.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.692 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.2 92.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.873 0.844 . . . . 25.0 109.239 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.65 -91.31 0.96 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 25.0 110.802 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -115.08 -6.59 12.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -84.25 155.11 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.504 -0.747 . . . . 25.0 109.56 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.33 1.45 54.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -146.76 161.28 40.95 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -113.34 151.2 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.6 p -91.61 150.86 20.97 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 105.649 -1.982 . . . . 25.0 105.649 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.6 mtt -55.56 -34.19 64.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.513 0.673 . . . . 25.0 109.215 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.41 -32.59 74.27 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.779 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.55 -39.0 74.22 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.862 -0.524 . . . . 25.0 110.482 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.33 -35.53 79.59 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -80.74 20.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.088 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -109.97 -42.36 4.24 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -90.96 -27.25 18.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.775 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 857' ' ' ALA . 0.0 OUTLIER -120.83 86.47 41.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.191 178.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.9 -23.24 68.44 Favored 'Trans proline' 0 CA--C 1.581 2.873 0 C-N-CA 113.876 -3.616 . . . . 25.0 117.732 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.451 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 33.1 Cg_endo -82.16 -164.61 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 116.891 1.843 . . . . 25.0 116.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.69 -28.89 50.89 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 113.996 1.109 . . . . 25.0 113.996 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -54.94 -31.24 60.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 122.065 -0.397 . . . . 25.0 110.925 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -68.39 -48.26 65.18 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.371 -0.831 . . . . 25.0 111.984 176.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.45 -34.73 76.48 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.34 -0.544 . . . . 25.0 110.772 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -51.75 67.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.499 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -44.09 95.27 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.575 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.1 mt -60.0 -42.51 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 122.734 0.414 . . . . 25.0 110.578 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.092 -0.504 . . . . 25.0 111.598 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -11.56 58.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -77.09 150.54 35.65 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -72.61 141.59 82.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.954 -175.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.86 92.11 1.15 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 124.926 3.75 . . . . 25.0 116.007 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.6 m-85 -93.01 107.75 19.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.691 0.758 . . . . 25.0 111.383 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -133.44 162.63 31.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.196 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 142.0 174.5 14.73 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 110.959 -0.856 . . . . 25.0 110.959 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.77 -20.05 17.83 Favored 'Trans proline' 0 C--O 1.219 -0.436 0 C-N-CA 122.529 2.153 . . . . 25.0 113.536 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -91.31 2.05 56.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.946 -1.502 . . . . 25.0 106.946 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 5.5 t -119.58 -172.58 2.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.13 -1.395 . . . . 25.0 108.925 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.1 m -124.31 157.0 66.09 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 106.086 -1.82 . . . . 25.0 106.086 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.15 18.39 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 121.44 1.427 . . . . 25.0 115.309 -174.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -152.61 47.86 0.55 Allowed Glycine 0 C--O 1.221 -0.715 0 N-CA-C 108.606 -1.798 . . . . 25.0 108.606 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 139.48 48.49 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.546 0.738 . . . . 25.0 109.042 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.5 mt -142.04 153.21 44.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.151 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.653 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 31.1 t0 -89.88 106.57 18.56 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.731 0.777 . . . . 25.0 110.374 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 879' ' ' TYR . . . . . 0.409 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 46.8 p90 -68.64 -35.72 77.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.331 -1.304 . . . . 25.0 112.324 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -90.81 -22.57 20.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.7 t -108.78 20.47 18.45 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 25.0 110.238 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.0 p90 -47.01 154.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.634 1.716 . . . . 25.0 115.634 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 38.0 t -78.98 109.04 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 25.0 113.672 -174.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.41 -17.82 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.918 -1.142 . . . . 25.0 107.918 172.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -84.17 6.87 20.85 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.703 -0.68 . . . . 25.0 110.831 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.1 mp 63.62 -173.61 0.16 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.971 0.908 . . . . 25.0 111.53 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -72.53 34.43 0.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.959 1.304 . . . . 25.0 112.918 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -88.01 -21.47 45.94 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.066 -0.588 . . . . 25.0 113.752 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -81.57 126.54 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.396 -0.473 . . . . 25.0 111.859 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 61.0 p -162.58 161.43 26.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.072 -1.085 . . . . 25.0 108.072 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -148.66 137.01 21.16 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 105.17 -2.159 . . . . 25.0 105.17 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.109 -0.948 . . . . 25.0 112.224 -176.023 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.487 -0.245 . . . . 25.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 741' ' ' SER . . . . . 0.45 ' H ' ' CG ' ' A' ' 855' ' ' ASP . 91.1 p -124.08 -3.34 8.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.172 0.989 . . . . 25.0 111.727 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 t 63.92 -156.89 0.31 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.171 0.988 . . . . 25.0 110.627 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.36 148.01 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.719 0.771 . . . . 25.0 110.565 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -93.3 157.04 16.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -62.7 -30.82 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.72 -36.72 36.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.521 -0.472 . . . . 25.0 110.475 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -60.16 -38.33 82.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.537 0.684 . . . . 25.0 110.514 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.54 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.9 ptp -76.96 -21.61 54.49 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 749' ' ' ASN . . . . . 0.674 ' HA ' ' HD2' ' A' ' 752' ' ' ARG . 0.2 OUTLIER -82.67 -29.64 29.82 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.638 -0.664 . . . . 25.0 111.9 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.41 -33.37 25.74 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 174.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 31.5 t80 -81.83 -24.23 35.97 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.02 1.859 . . . . 25.0 116.02 -175.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 752' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 749' ' ' ASN . 0.0 OUTLIER -68.74 -16.97 63.97 Favored 'General case' 1 N--CA 1.363 -4.823 0 C-N-CA 115.544 -2.463 . . . . 25.0 111.373 179.459 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.48 63.73 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -59.4 -14.7 13.04 Favored 'General case' 0 C--N 1.255 -3.535 0 C-N-CA 125.271 1.428 . . . . 25.0 110.034 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 755' ' ' PHE . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 812' ' ' PHE . 2.5 p90 -56.47 -24.88 48.75 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 114.138 1.162 . . . . 25.0 114.138 171.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -6.92 12.97 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.205 0.941 . . . . 25.0 111.006 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -76.57 -55.34 5.61 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.132 -0.486 . . . . 25.0 112.081 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.421 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 1.0 OUTLIER -104.08 1.09 30.5 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 119.724 -0.79 . . . . 25.0 112.173 -177.471 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.9 t0 -47.05 102.53 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.953 1.358 . . . . 50.0 112.488 174.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.423 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 13.1 ttp180 -53.62 -35.79 61.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.65 -2.068 . . . . 25.0 113.771 -175.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.76 3.97 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 50.0 111.343 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 58.17 36.08 25.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 73.7 p -73.85 -6.77 49.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.027 0.531 . . . . 25.0 111.998 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.49 2.68 61.62 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 109.448 -1.461 . . . . 25.0 109.448 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.2 p -155.71 156.48 34.97 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.715 0.806 . . . . 25.0 109.543 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.757 HD23 ' HZ ' ' A' ' 812' ' ' PHE . 1.3 mm? -104.86 147.5 27.67 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.328 -0.949 . . . . 25.0 108.92 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.492 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -88.65 -163.65 39.56 Favored Glycine 0 C--N 1.304 -1.203 0 N-CA-C 106.932 -2.467 . . . . 25.0 106.932 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.94 -55.85 0.24 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 CA-C-N 121.174 2.487 . . . . 25.0 112.609 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.47 -17.28 64.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.08 0.943 . . . . 25.0 110.569 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.7 mt-10 -88.75 -52.77 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 116.436 -1.745 . . . . 50.0 111.692 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.846 ' HB2' HG11 ' A' ' 807' ' ' VAL . 30.2 t80 -52.51 -37.78 58.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 123.023 2.647 . . . . 25.0 114.489 174.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -21.77 66.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.23 18.88 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 39.2 t -56.21 -48.66 76.0 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.562 1.172 . . . . 25.0 109.043 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 21.8 mt -60.98 -18.8 59.5 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.741 2.497 . . . . 25.0 117.741 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.34 -39.18 84.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.4 m -79.15 -4.64 51.44 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.332 -0.849 . . . . 25.0 111.792 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.9 -11.37 15.73 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 116.011 -0.54 . . . . 25.0 110.541 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.25 50.9 3.69 Favored Glycine 0 C--O 1.22 -0.749 0 C-N-CA 118.681 -1.724 . . . . 25.0 113.092 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.41 159.92 25.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 118.366 2.728 . . . . 25.0 118.366 -179.706 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -89.49 10.13 23.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.784 0.834 . . . . 25.0 111.132 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.54 171.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.357 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.77 -163.16 12.34 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 105.997 -2.841 . . . . 25.0 105.997 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -84.72 10.14 12.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 117.636 0.718 . . . . 25.0 109.553 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.14 150.74 91.72 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.657 -0.701 . . . . 25.0 109.344 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.09 -22.92 61.35 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.702 -1.065 . . . . 25.0 113.424 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.67 -45.08 13.83 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.61 94.17 Favored Glycine 0 C--O 1.209 -1.433 0 C-N-CA 121.015 -0.612 . . . . 25.0 113.937 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.6 -25.78 66.78 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 118.407 1.104 . . . . 25.0 111.633 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.99 -40.51 46.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -68.28 -38.27 81.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.491 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.2 OUTLIER -62.54 -40.87 98.2 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.2 73.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.428 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.5 ttp-105 -62.33 -44.59 96.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.9 mt -67.36 -38.01 80.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -28.22 50.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.089 0.471 . . . . 25.0 110.384 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.0 t -81.0 -29.83 35.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.1 pt -83.1 -25.0 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.595 0.634 . . . . 25.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.559 ' HB ' ' HB1' ' A' ' 811' ' ' ALA . 26.1 m -85.33 16.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-O 122.139 0.971 . . . . 25.0 109.389 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -119.45 53.43 2.33 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.491 175.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.07 -1.4 10.48 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 116.706 -1.73 . . . . 25.0 114.367 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -108.66 -2.11 18.97 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 57.42 40.68 27.18 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -8.19 15.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.518 -1.219 . . . . 25.0 111.36 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.22 26.67 61.3 Favored Glycine 0 C--O 1.238 0.364 0 CA-C-N 116.069 -0.514 . . . . 25.0 112.949 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -142.07 154.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 121.967 -0.725 . . . . 25.0 111.588 -178.715 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.846 HG11 ' HB2' ' A' ' 771' ' ' PHE . 2.3 m -87.36 127.85 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.089 -1.449 . . . . 25.0 107.089 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.76 173.72 6.22 Favored 'General case' 0 C--O 1.185 -2.303 0 O-C-N 124.942 1.401 . . . . 25.0 108.868 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.481 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -54.48 -37.67 65.51 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 114.133 -1.394 . . . . 25.0 112.46 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -14.86 59.05 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.885 -0.326 . . . . 25.0 110.724 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 811' ' ' ALA . . . . . 0.559 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -85.68 -41.49 15.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 122.227 1.013 . . . . 25.0 109.58 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.757 ' HZ ' HD23 ' A' ' 766' ' ' LEU . 59.6 m-85 -51.39 -40.87 60.13 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.45 176.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.54 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.1 mm -62.51 -31.17 51.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.098 0.951 . . . . 25.0 111.427 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.31 -33.44 53.37 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.934 -1.03 . . . . 25.0 110.762 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -83.2 -48.38 10.56 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 120.706 0.289 . . . . 25.0 110.325 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -48.08 -34.67 9.99 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.557 2.058 . . . . 25.0 116.557 -177.519 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.9 t -75.15 -19.63 59.78 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 120.375 -1.453 . . . . 25.0 111.702 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -78.5 -18.15 55.21 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.828 0.451 . . . . 25.0 110.164 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.502 ' HB3' HE21 ' A' ' 856' ' ' GLN . 11.4 tp10 -49.67 -30.39 8.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 124.585 1.154 . . . . 25.0 112.243 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.5 p -68.12 4.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.1 -109.2 0.07 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 122.69 0.396 . . . . 25.0 111.544 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -157.76 142.46 16.48 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.18 145.85 16.86 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.44 -46.64 87.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.596 1.189 . . . . 25.0 111.524 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 13.7 p -72.03 -16.1 62.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.522 -1.217 . . . . 25.0 112.135 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.92 -22.06 65.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.686 0.279 . . . . 25.0 111.5 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.5 -35.28 75.56 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.877 0.846 . . . . 25.0 110.415 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.7 -40.59 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.944 -0.473 . . . . 25.0 111.717 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.47 -29.21 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -19.01 64.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.67 -19.35 1.53 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 78.0 p -54.14 -27.69 35.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.802 0.441 . . . . 25.0 112.117 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' PHE . . . . . 0.433 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -60.01 -23.01 63.32 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 178.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -77.06 -36.03 56.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.992 -1.067 . . . . 25.0 109.071 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.23 -42.56 91.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.45 -46.68 87.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.52 -44.08 88.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.607 0.717 . . . . 25.0 109.305 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.01 -89.72 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.593 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -115.0 -11.69 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -79.76 155.31 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 25.0 111.54 -172.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.6 -0.91 52.52 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.878 1.436 . . . . 25.0 114.878 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.41 ' CD1' ' HB1' ' A' ' 876' ' ' ALA . 36.0 p90 -154.65 161.1 41.73 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 105.849 -1.908 . . . . 25.0 105.849 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.4 tp -110.4 148.43 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.8 p -90.82 150.8 21.42 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.9 mtt -56.25 -30.1 61.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.798 0.332 . . . . 25.0 110.512 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -34.73 79.03 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 122.759 0.424 . . . . 25.0 111.971 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.07 -36.86 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.067 -0.396 . . . . 25.0 110.835 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.16 -41.3 86.25 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 107.405 -1.331 . . . . 25.0 107.405 176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.4 mtp-105 -80.64 32.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.623 0.769 . . . . 25.0 111.114 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -132.6 -33.36 1.24 Allowed 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.752 -1.573 . . . . 25.0 106.752 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.499 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -97.79 -21.51 16.91 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.499 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 12.4 mt -117.87 86.49 25.06 Favored Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.903 0.382 . . . . 25.0 110.682 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.86 -24.02 74.33 Favored 'Trans proline' 0 CA--C 1.576 2.593 0 C-N-CA 114.194 -3.404 . . . . 25.0 117.472 169.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.67 -167.88 0.47 Allowed 'Trans proline' 0 C--N 1.365 1.445 0 N-CA-C 116.876 1.837 . . . . 25.0 116.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 855' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 741' ' ' SER . 69.6 m-20 -57.03 -16.33 6.96 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.718 1.377 . . . . 25.0 114.718 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 856' ' ' GLN . . . . . 0.502 HE21 ' HB3' ' A' ' 819' ' ' GLU . 0.9 OUTLIER -60.02 -27.26 66.75 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.619 -0.832 . . . . 25.0 109.143 176.8 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.92 -48.17 77.66 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.864 -0.522 . . . . 25.0 111.607 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.78 -35.14 74.63 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.5 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -51.54 67.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 174.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.37 -43.87 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.393 -0.192 . . . . 25.0 111.298 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.55 -41.29 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.759 0.314 . . . . 25.0 110.254 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.98 79.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.36 -8.45 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.52 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.7 ttm -81.05 153.19 27.51 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.39 -0.819 . . . . 25.0 112.279 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -74.9 139.55 73.48 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 120.443 -0.503 . . . . 25.0 110.941 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.58 92.1 1.04 Allowed 'Trans proline' 0 C--O 1.233 0.268 1 C-N-CA 125.341 4.027 . . . . 25.0 114.403 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.0 OUTLIER -90.67 113.92 26.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.485 1.135 . . . . 25.0 113.313 -178.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 74.0 p -135.24 139.43 44.45 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 105.449 -2.056 . . . . 25.0 105.449 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 165.52 -175.23 41.29 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 109.23 -1.548 . . . . 25.0 109.23 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.56 -23.48 12.85 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 122.724 2.283 . . . . 25.0 114.773 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -87.8 -25.58 23.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.407 1.099 . . . . 25.0 108.315 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 64.2 m -87.55 165.89 15.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.763 -1.562 . . . . 25.0 109.908 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.6 m -125.62 161.69 49.2 Favored Pre-proline 0 CA--C 1.482 -1.656 0 N-CA-C 106.862 -1.533 . . . . 25.0 106.862 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.6 132.18 30.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 114.182 -3.412 . . . . 25.0 108.091 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 86.69 37.34 8.72 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.719 -0.753 . . . . 25.0 111.992 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 876' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 842' ' ' TYR . . . -112.86 139.45 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.92 149.9 40.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.94 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 22.6 t0 -88.18 110.27 20.56 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 121.593 0.711 . . . . 25.0 110.567 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 879' ' ' TYR . . . . . 0.433 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 51.9 p90 -70.24 -36.7 74.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.456 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -91.01 -16.39 28.02 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.1 t -114.3 21.14 14.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.4 p90 -52.26 159.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 122.032 0.92 . . . . 25.0 113.112 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.2 m -78.26 114.42 17.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.391 -0.822 . . . . 25.0 109.905 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 65.4 p -71.06 -11.54 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.574 0.702 . . . . 25.0 109.382 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -104.39 138.5 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.025 -1.843 . . . . 25.0 106.025 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.17 154.11 28.25 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 25.0 110.401 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -46.09 -39.05 8.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.025 -0.989 . . . . 25.0 112.23 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 68.25 -152.76 52.66 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.508 0.505 . . . . 25.0 113.623 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -135.39 147.69 49.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.38 -2.452 . . . . 25.0 104.38 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 55.6 p -158.32 162.5 37.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -151.04 171.35 17.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.247 0 O-C-N 124.538 1.149 . . . . 25.0 112.438 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.423 0 CA-C-O 120.14 -0.256 . . . . 25.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 48.0 t -146.09 127.0 14.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.799 -1.926 . . . . 25.0 105.799 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 19.5 p -48.71 -49.78 36.44 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.081 0.467 . . . . 25.0 111.258 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.0 OUTLIER -116.8 142.26 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 CA-C-O 121.686 0.755 . . . . 25.0 111.639 171.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 83.4 p -97.55 166.58 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.311 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -63.38 -33.65 76.0 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.867 -0.419 . . . . 25.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.95 -40.16 60.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.717 -0.219 . . . . 25.0 111.294 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.8 -40.83 94.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.036 0.446 . . . . 25.0 110.837 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.94 -22.19 58.73 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.198 -1.038 . . . . 25.0 108.198 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -39.19 53.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.679 -0.237 . . . . 25.0 111.114 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.76 -38.1 39.47 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.419 -0.912 . . . . 25.0 109.785 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.435 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 35.9 t80 -67.77 -27.55 66.85 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.701 -0.625 . . . . 25.0 112.626 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.72 -19.82 62.83 Favored 'General case' 0 C--O 1.2 -1.539 0 O-C-N 121.315 -0.865 . . . . 25.0 109.127 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.96 -22.07 63.19 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.454 1.025 . . . . 25.0 110.24 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -16.42 52.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.998 0.427 . . . . 25.0 110.171 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -23.72 43.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.37 -15.61 13.54 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 111.723 0.268 . . . . 25.0 111.723 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -66.04 -49.49 67.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -173.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.423 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.04 1.16 30.68 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.498 -0.319 . . . . 25.0 111.195 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.7 t0 -56.85 103.29 0.11 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.843 0.83 . . . . 50.0 112.04 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.503 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 88.0 mtt-85 -57.55 -35.97 71.02 Favored 'General case' 0 CA--C 1.478 -1.796 0 CA-C-N 114.605 -1.179 . . . . 25.0 113.796 -173.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -115.59 5.57 14.39 Favored 'General case' 0 N--CA 1.439 -0.99 0 O-C-N 123.9 0.75 . . . . 50.0 110.614 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.2 p80 51.64 32.19 8.86 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 76.8 p -66.24 -12.91 59.14 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.18 14.99 55.21 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 108.132 -1.987 . . . . 25.0 108.132 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -157.0 136.33 12.07 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.4 mm? -88.18 130.39 35.07 Favored 'General case' 0 C--O 1.184 -2.347 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.504 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -82.56 -170.46 45.47 Favored Glycine 0 C--O 1.195 -2.316 0 N-CA-C 109.077 -1.609 . . . . 25.0 109.077 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.54 -57.18 0.61 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 CA-C-N 120.884 2.342 . . . . 25.0 115.25 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -70.74 -16.36 62.76 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.212 1.006 . . . . 25.0 109.433 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.1 mt-10 -84.82 -47.66 10.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.386 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CG ' HG21 ' A' ' 807' ' ' VAL . 18.5 t80 -58.4 -42.03 86.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 124.356 1.063 . . . . 25.0 111.922 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -22.13 65.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.928 -178.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.64 -32.69 21.89 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.423 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 42.3 t -62.82 -45.05 94.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.177 0.989 . . . . 25.0 108.613 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.69 -18.83 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 116.24 1.941 . . . . 25.0 116.24 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.33 -40.97 89.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.4 m -79.06 -4.23 49.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.725 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.33 -5.44 19.07 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.234 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.84 51.76 4.39 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 118.545 -1.788 . . . . 25.0 112.171 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.96 164.12 22.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 116.93 2.196 . . . . 25.0 116.93 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -98.02 7.89 45.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.694 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.82 -178.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.087 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -175.54 -165.61 31.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 104.087 -3.605 . . . . 25.0 104.087 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -85.84 25.7 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.736 1.268 . . . . 25.0 109.614 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.18 155.16 84.39 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.753 -1.112 . . . . 25.0 108.973 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -64.68 -26.2 61.12 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.131 -1.446 . . . . 25.0 114.016 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -82.13 -44.7 16.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.296 0.569 . . . . 25.0 109.729 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -71.12 -28.75 69.74 Favored Glycine 0 C--O 1.206 -1.598 0 N-CA-C 116.714 1.445 . . . . 25.0 116.714 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.03 -29.14 70.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 119.25 1.525 . . . . 25.0 110.38 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.27 60.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.798 0.809 . . . . 25.0 109.033 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -73.25 -34.04 65.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.055 -0.975 . . . . 25.0 109.754 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -46.69 82.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.65 71.25 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.437 -0.347 . . . . 25.0 111.529 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.81 -38.44 91.1 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 177.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 8.4 mt -78.13 -37.33 22.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 106.458 -1.682 . . . . 25.0 106.458 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.456 ' HA ' HG12 ' A' ' 799' ' ' VAL . 0.0 OUTLIER -56.45 -23.28 37.81 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 124.295 1.998 . . . . 25.0 111.135 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 11.2 t -81.25 -21.44 39.45 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 112.934 -1.939 . . . . 25.0 113.014 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.4 pt -93.98 -23.79 5.2 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 121.747 2.067 . . . . 25.0 108.23 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 1.003 ' HA ' ' HB1' ' A' ' 811' ' ' ALA 0.338 0.3 OUTLIER -94.94 15.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 110.028 -3.26 . . . . 25.0 110.374 -173.622 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.82 62.65 65.4 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.46 -1.245 . . . . 25.0 108.983 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.9 -2.38 11.4 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 114.792 1.035 . . . . 25.0 114.792 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -107.97 -3.9 18.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 55.26 40.84 31.71 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.085 0.954 . . . . 25.0 112.874 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.409 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -103.02 -6.57 22.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.655 -1.157 . . . . 25.0 109.319 177.458 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.39 19.27 66.87 Favored Glycine 0 CA--C 1.512 -0.129 0 C-N-CA 120.9 -0.666 . . . . 25.0 113.209 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.409 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -137.92 154.27 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 -178.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.638 HG22 HG13 ' A' ' 799' ' ' VAL . 57.7 t -92.74 126.69 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 123.184 0.594 . . . . 25.0 111.569 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 808' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 811' ' ' ALA . 0.1 OUTLIER -107.06 167.77 9.67 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-O 121.722 0.772 . . . . 25.0 111.99 -178.128 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.632 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -62.57 -29.61 70.71 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 118.888 2.922 . . . . 25.0 118.888 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -79.36 -15.27 58.16 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' ALA . . . . . 1.003 ' HB1' ' HA ' ' A' ' 799' ' ' VAL . . . -85.79 -62.35 1.55 Allowed 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.139 -175.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.632 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.0 m-85 -33.65 -35.71 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.946 1.832 . . . . 25.0 115.946 173.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 23.5 mm -58.93 -33.39 49.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.301 0.64 . . . . 25.0 111.238 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.69 -39.66 62.18 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.861 -1.063 . . . . 25.0 109.172 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.25 -46.82 21.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.704 0.684 . . . . 25.0 110.266 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.435 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.67 -31.51 47.95 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 115.181 1.549 . . . . 25.0 115.181 -176.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.8 -19.82 60.04 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.136 -1.603 . . . . 25.0 111.426 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -73.98 -19.32 60.7 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.479 -0.782 . . . . 25.0 110.306 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.507 ' HB3' HE22 ' A' ' 856' ' ' GLN . 10.6 tp10 -49.68 -32.24 12.84 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.283 0.989 . . . . 25.0 111.925 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.8 p -63.75 -2.64 1.86 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.654 1.354 . . . . 25.0 114.654 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -86.97 -145.63 0.12 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.469 ' HB2' HH22 ' A' ' 863' ' ' ARG . 21.7 t0 -128.81 136.39 50.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.36 147.79 33.89 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.18 -38.69 88.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.586 1.184 . . . . 25.0 109.966 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.1 p -75.16 -12.84 60.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.537 -1.21 . . . . 25.0 112.475 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.94 -23.25 65.14 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.81 -36.08 73.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.93 0.871 . . . . 25.0 110.076 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.58 -39.85 80.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.152 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.64 -34.96 30.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 44.6 mtt -69.94 -10.85 60.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.31 58.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.86 -0.525 . . . . 25.0 110.875 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.1 m -59.29 -26.45 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.2 -23.19 67.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.98 -0.45 . . . . 25.0 111.645 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.77 -36.23 75.59 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.473 -0.767 . . . . 25.0 109.173 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.61 -40.94 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -45.48 94.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.955 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.93 87.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.86 0.838 . . . . 25.0 110.546 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 89.72 -107.07 3.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 105.347 -3.101 . . . . 25.0 105.347 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -118.63 2.99 11.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.582 1.191 . . . . 25.0 113.73 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 18.6 ptmt -76.66 148.64 36.74 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.679 -1.6 . . . . 25.0 106.679 -176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.03 -7.08 53.84 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.78 1.4 . . . . 25.0 114.78 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -140.0 163.07 33.67 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.6 tp -115.79 149.0 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 104.953 -2.24 . . . . 25.0 104.953 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.5 p -86.69 152.51 22.49 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.5 mtt -53.75 -35.6 61.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.489 0.661 . . . . 25.0 109.567 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.17 -29.15 63.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.672 0.99 . . . . 25.0 113.672 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.51 -39.18 81.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.88 -38.82 89.79 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.45 27.95 0.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.214 0.606 . . . . 25.0 110.622 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -127.83 -35.13 2.11 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.51 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.2 pt-20 -96.42 -23.75 16.45 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.51 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.3 mt -116.63 84.65 15.5 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 122.627 0.371 . . . . 25.0 110.831 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.76 -24.21 74.59 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 C-N-CA 114.788 -3.008 . . . . 25.0 116.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.85 -171.17 1.11 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 116.167 -2.089 . . . . 25.0 116.317 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -58.9 -15.57 13.39 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 114.727 -1.124 . . . . 25.0 112.578 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 856' ' ' GLN . . . . . 0.507 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.1 mm-40 -52.04 -34.96 45.67 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.1 -54.69 41.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.911 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -69.23 -33.91 74.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -52.54 64.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -64.56 -42.02 95.94 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.399 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.3 mt -58.32 -42.23 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.01 0.524 . . . . 25.0 110.476 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 862' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -65.26 -31.5 72.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 863' ' ' ARG . . . . . 0.469 HH22 ' HB2' ' A' ' 822' ' ' ASP . 0.0 OUTLIER -95.23 -10.09 31.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.709 0.766 . . . . 25.0 113.006 -178.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.491 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.7 ttm -76.95 159.5 29.92 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.234 0.827 . . . . 25.0 113.234 -176.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.87 131.0 89.54 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.089 -175.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.78 88.29 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 124.011 3.141 . . . . 25.0 115.507 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.04 104.05 16.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 63.5 p -136.34 157.97 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.733 -0.604 . . . . 25.0 110.811 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.22 172.34 26.22 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.892 -1.283 . . . . 25.0 109.892 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.37 -20.74 18.14 Favored 'Trans proline' 0 C--O 1.22 -0.412 0 C-N-CA 122.379 2.052 . . . . 25.0 113.468 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -95.67 5.26 51.87 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 107.363 -1.347 . . . . 25.0 107.363 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.4 t -113.03 -174.67 2.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.269 -1.332 . . . . 25.0 107.998 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.45 156.11 42.73 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 106.152 -1.795 . . . . 25.0 106.152 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.31 48.12 2.24 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.025 1.816 . . . . 25.0 113.065 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 171.75 47.93 0.04 OUTLIER Glycine 0 C--O 1.219 -0.829 0 CA-C-O 119.33 -0.705 . . . . 25.0 112.265 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 134.88 54.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.05 146.11 35.11 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 11.6 t0 -82.24 111.81 18.66 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.146 -0.621 . . . . 25.0 110.459 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -68.35 -35.68 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.29 -0.868 . . . . 25.0 112.299 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -94.06 -24.96 17.39 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.4 t -98.25 15.72 23.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.395 -0.594 . . . . 25.0 109.395 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.491 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.1 p90 -57.13 172.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.98 -1.009 . . . . 25.0 112.894 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 70.3 m -124.32 132.51 53.56 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 18.0 p -71.34 -28.99 64.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.72 126.82 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.79 146.92 54.18 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.239 -1.346 . . . . 25.0 112.479 -176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 887' ' ' TYR . . . . . 0.427 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 1.5 p90 -38.7 -40.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.572 -1.649 . . . . 25.0 114.958 174.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 83.14 -172.1 50.98 Favored Glycine 0 C--O 1.224 -0.491 0 C-N-CA 121.118 -0.563 . . . . 25.0 112.223 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -136.12 99.5 4.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.074 -1.454 . . . . 25.0 107.074 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 53.5 m -156.64 44.18 0.39 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -141.72 178.46 7.47 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.121 -1.437 . . . . 25.0 107.121 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.253 1.251 0 CA-C-O 117.514 -1.231 . . . . 25.0 112.497 -175.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 CA-C-O 118.917 -0.935 . . . . 25.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 50.1 m -155.09 113.03 3.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.143 0.971 . . . . 25.0 112.68 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.3 m 58.13 -171.65 0.1 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 118.966 2.951 . . . . 25.0 118.966 171.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -68.14 153.78 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 113.715 -1.584 . . . . 25.0 113.61 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.8 t -96.35 158.53 15.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -64.4 -27.89 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 25.0 109.861 177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -81.15 -38.33 27.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.463 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 42.1 tp60 -60.96 -40.8 94.76 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.861 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.442 ' HE2' HG21 ' A' ' 813' ' ' ILE . 5.8 ptp -73.81 -21.0 60.29 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -44.24 25.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.266 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.13 -36.91 58.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -70.87 -24.43 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.696 -0.628 . . . . 25.0 112.59 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.28 -21.35 66.19 Favored 'General case' 0 C--O 1.198 -1.635 0 O-C-N 121.098 -1.001 . . . . 25.0 108.73 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.71 -22.5 64.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.069 0.849 . . . . 25.0 110.185 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -15.2 56.58 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.111 -0.368 . . . . 25.0 110.542 177.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -23.09 49.69 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.12 0.785 . . . . 25.0 113.12 174.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -115.6 -14.71 11.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.643 0.259 . . . . 25.0 111.588 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.85 -51.66 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.9 3.05 33.28 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 120.737 0.303 . . . . 25.0 110.639 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -57.07 104.51 0.16 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.299 1.047 . . . . 50.0 112.118 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.527 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 41.9 ttt180 -50.15 -35.86 27.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 112.953 -1.931 . . . . 25.0 112.976 -176.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -123.5 1.98 8.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.956 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 61.47 29.65 18.49 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 50.5 p -70.33 -9.78 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.04 19.39 59.31 Favored Glycine 0 CA--C 1.511 -0.2 0 N-CA-C 107.611 -2.195 . . . . 25.0 107.611 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -155.7 136.25 13.31 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.942 -1.129 . . . . 25.0 109.584 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.401 HD23 ' CZ ' ' A' ' 812' ' ' PHE . 4.6 mm? -99.27 126.15 45.04 Favored 'General case' 0 C--O 1.201 -1.468 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.462 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -81.26 -167.43 38.24 Favored Glycine 0 C--O 1.199 -2.062 0 N-CA-C 109.594 -1.402 . . . . 25.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -62.87 -57.39 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.554 0 CA-C-N 120.633 2.217 . . . . 25.0 113.943 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.73 -17.35 64.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.562 0.696 . . . . 25.0 110.875 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.527 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.0 mt-10 -88.62 -45.83 9.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.701 -0.681 . . . . 50.0 110.087 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.473 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.9 t80 -59.45 -40.64 87.48 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.575 0.75 . . . . 25.0 110.53 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -22.77 66.33 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.251 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.49 -36.08 20.78 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.84 -48.33 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.27 -18.91 41.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 116.392 1.997 . . . . 25.0 116.392 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.25 -39.06 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 43.3 m -76.05 -8.54 57.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.88 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.01 -19.82 15.67 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 116.398 -0.365 . . . . 25.0 110.517 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.85 3.7 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 118.862 -1.637 . . . . 25.0 110.972 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.97 164.03 4.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.436 2.013 . . . . 25.0 116.436 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -96.56 17.67 15.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.861 0.838 . . . . 25.0 110.541 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.89 -177.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.65 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.33 20.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 104.863 -3.295 . . . . 25.0 104.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -91.91 22.45 4.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.27 1.035 . . . . 25.0 108.207 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.55 152.26 87.44 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.27 -25.41 64.59 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 117.948 -0.901 . . . . 25.0 113.854 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.82 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.56 84.61 Favored Glycine 0 C--O 1.206 -1.638 0 C-N-CA 120.69 -0.767 . . . . 25.0 114.766 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.99 -27.71 68.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.084 1.442 . . . . 25.0 111.211 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.36 -41.22 48.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.18 -36.01 76.89 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.429 -0.805 . . . . 25.0 109.967 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.49 -44.89 92.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.87 74.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.842 -0.343 . . . . 25.0 111.274 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -62.13 -39.23 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.18 -42.58 58.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.125 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -24.91 40.78 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.16 0.505 . . . . 25.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 29.4 t -81.58 -18.47 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 25.0 112.162 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -102.02 -23.4 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.736 1.013 . . . . 25.0 113.736 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.539 HG23 HG22 ' A' ' 807' ' ' VAL . 30.0 m -93.2 23.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 25.0 112.141 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.31 64.14 26.5 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 122.067 0.937 . . . . 25.0 108.985 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 -4.29 8.13 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.507 1.472 . . . . 25.0 115.275 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -106.73 -0.94 23.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 54.22 42.51 31.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.81 1.244 . . . . 25.0 113.938 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 804' ' ' LEU . 0.2 OUTLIER -105.16 -6.66 19.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.64 -1.618 . . . . 25.0 110.819 177.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.93 66.41 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.843 -0.694 . . . . 25.0 113.726 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.39 153.55 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.539 HG22 HG23 ' A' ' 799' ' ' VAL . 45.1 t -89.87 125.68 42.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 N-CA-C 110.385 -0.228 . . . . 25.0 110.385 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 4.6 p -103.77 168.65 9.0 Favored 'General case' 0 CA--C 1.494 -1.189 0 O-C-N 124.16 0.912 . . . . 25.0 111.791 -177.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.554 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 7.1 p90 -50.62 -47.31 58.36 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 115.86 1.8 . . . . 25.0 115.86 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -16.42 63.14 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.736 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.28 -37.95 16.72 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 114.993 -1.003 . . . . 25.0 110.616 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.554 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 59.1 m-85 -57.54 -33.58 68.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.949 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.442 HG21 ' HE2' ' A' ' 748' ' ' MET . 8.8 mm -60.41 -32.98 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.428 -0.806 . . . . 25.0 111.766 -176.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.93 -49.53 29.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.059 -0.973 . . . . 25.0 110.263 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -73.78 -42.07 61.54 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-O 121.705 0.764 . . . . 25.0 110.66 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.513 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.82 -27.85 53.35 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 114.621 1.341 . . . . 25.0 114.621 -178.683 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 23.9 t -85.87 -19.67 30.23 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.544 -1.347 . . . . 25.0 111.318 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.5 -22.25 64.54 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.114 0.483 . . . . 25.0 109.986 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.536 ' HB3' HE21 ' A' ' 856' ' ' GLN . 17.4 tp10 -54.73 -15.84 2.13 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.884 1.674 . . . . 25.0 114.264 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 34.5 p -70.39 1.61 4.8 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.739 -0.601 . . . . 25.0 112.483 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -122.67 154.23 38.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -79.8 163.85 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.067 0.765 . . . . 25.0 113.067 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.15 163.85 31.86 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.38 -37.92 89.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.201 1.0 . . . . 25.0 110.024 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 17.1 p -72.48 -14.92 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.269 -0.878 . . . . 25.0 111.879 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.23 -26.85 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.059 0.225 . . . . 25.0 111.373 -176.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.02 -28.86 66.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 25.0 111.437 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -84.41 -42.21 15.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.775 -0.578 . . . . 25.0 111.97 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.0 p -76.02 -29.7 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.283 -174.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.68 -13.53 54.58 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.922 -0.486 . . . . 25.0 111.205 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.02 -26.09 65.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.1 p -62.96 -26.32 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.794 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.67 -24.69 67.76 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 122.092 -0.38 . . . . 25.0 110.658 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -71.92 -36.07 69.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.402 -0.811 . . . . 25.0 109.223 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.82 -40.64 76.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.273 -1.38 . . . . 25.0 107.273 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -40.06 94.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 25.0 110.026 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.43 66.0 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.431 1.11 . . . . 25.0 111.597 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.39 -83.05 1.12 Allowed Glycine 0 C--O 1.185 -2.937 0 CA-C-O 122.369 0.983 . . . . 25.0 113.624 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -114.6 -28.46 7.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.681 -1.259 . . . . 25.0 112.663 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -84.7 165.73 17.63 Favored 'General case' 0 N--CA 1.422 -1.842 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -91.73 1.86 56.88 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 124.355 1.062 . . . . 25.0 112.94 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -136.42 163.38 30.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 105.733 -1.951 . . . . 25.0 105.733 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -120.74 150.86 23.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 105.242 -2.132 . . . . 25.0 105.242 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.3 p -92.6 153.48 18.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.8 mtt -55.55 -32.74 63.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 120.998 0.428 . . . . 25.0 110.152 173.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.7 -37.03 84.85 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 123.338 0.655 . . . . 25.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.81 -37.43 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.672 0.273 . . . . 25.0 111.355 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.48 -36.6 73.95 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -81.42 30.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.97 -0.559 . . . . 25.0 110.551 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -132.62 -40.37 0.97 Allowed 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.531 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 20.9 pt-20 -91.94 -20.74 21.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.405 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.531 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 7.6 mt -122.26 87.58 48.24 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 122.791 0.436 . . . . 25.0 111.2 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.54 -25.68 79.77 Favored 'Trans proline' 0 CA--C 1.578 2.685 0 C-N-CA 114.345 -3.303 . . . . 25.0 118.258 171.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 57.8 Cg_endo -79.77 -169.3 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 118.226 2.356 . . . . 25.0 118.226 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.5 -21.63 6.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.596 -1.638 . . . . 25.0 112.459 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 856' ' ' GLN . . . . . 0.536 HE21 ' HB3' ' A' ' 819' ' ' GLU . 41.6 mt-30 -56.71 -36.61 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.246 -0.284 . . . . 25.0 110.72 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.133 0.492 . . . . 25.0 111.308 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.41 -31.76 60.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -50.18 71.33 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 85.8 m -63.07 -45.07 93.88 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.114 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.2 mt -59.0 -41.65 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.957 0.408 . . . . 25.0 110.916 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.44 91.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.748 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -12.24 46.03 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.28 0.474 . . . . 25.0 112.28 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -75.14 153.13 38.39 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.934 -0.479 . . . . 25.0 110.946 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.33 134.83 88.93 Favored Pre-proline 0 C--O 1.222 -0.392 0 C-N-CA 120.512 -0.475 . . . . 25.0 110.395 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.12 92.63 1.05 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.811 2.341 . . . . 25.0 114.206 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -92.75 98.17 11.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.914 0.864 . . . . 25.0 108.742 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.2 p -132.79 162.8 30.54 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -177.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 150.38 177.29 24.19 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 109.708 -1.357 . . . . 25.0 109.708 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.36 -21.45 17.4 Favored 'Trans proline' 0 C--O 1.219 -0.464 0 C-N-CA 122.147 1.898 . . . . 25.0 113.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -96.22 4.36 52.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 6.3 t -116.59 -173.22 2.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.282 -1.326 . . . . 25.0 108.815 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -120.1 156.04 55.09 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.59 26.43 0.35 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 121.718 1.612 . . . . 25.0 114.606 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -160.51 44.3 0.42 Allowed Glycine 0 C--O 1.219 -0.791 0 N-CA-C 111.001 -0.839 . . . . 25.0 111.001 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 140.25 47.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 5.8 mt -141.94 152.06 43.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 25.0 111.622 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 25.1 t0 -89.35 108.32 19.57 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 25.0 109.947 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -65.05 -39.27 93.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.405 -1.271 . . . . 25.0 110.696 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -89.04 -30.47 18.68 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.4 t -97.56 19.03 14.12 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.923 -0.485 . . . . 25.0 111.088 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 5.9 p90 -44.64 155.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.067 1.877 . . . . 25.0 116.067 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 36.8 t -82.45 113.14 20.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.744 0.783 . . . . 25.0 112.641 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.1 p -75.56 -9.83 58.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.208 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -96.74 15.72 21.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.595 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.2 mp 65.41 -175.4 0.18 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.117 0.885 . . . . 25.0 110.002 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -38.3 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 73.93 -147.51 38.27 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.053 -1.219 . . . . 25.0 110.053 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -117.5 151.71 36.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 66.3 p -76.52 142.04 41.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -83.78 110.57 18.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 174.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.898 -1.049 . . . . 25.0 112.192 -175.028 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 N-CA-C 112.36 -0.296 . . . . 25.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.9 m -141.74 52.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.7 p 62.17 -159.65 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.895 2.183 . . . . 25.0 116.895 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.2 OUTLIER -65.01 150.64 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.562 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.1 t -97.51 158.68 15.36 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.863 0.465 . . . . 25.0 110.689 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.51 69.04 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.014 -0.539 . . . . 25.0 109.923 176.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.11 -37.68 33.14 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.286 -0.259 . . . . 25.0 110.562 177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.185 0.517 . . . . 25.0 110.559 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.44 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.6 ptp -72.32 -21.06 61.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -39.2 23.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.91 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.4 -38.98 59.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 35.2 t80 -68.98 -28.69 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -19.67 60.7 Favored 'General case' 0 C--O 1.197 -1.688 0 O-C-N 121.231 -0.918 . . . . 25.0 109.797 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.54 -22.27 65.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.073 0.852 . . . . 25.0 110.325 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.6 t -63.93 -14.82 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.848 -0.533 . . . . 25.0 110.485 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -22.9 43.97 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 173.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.96 -17.36 12.9 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 111.918 0.34 . . . . 25.0 111.918 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -62.85 -53.65 50.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.05 3.02 32.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.156 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 766' ' ' LEU . 20.1 t0 -56.67 104.42 0.15 Allowed 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 122.711 1.244 . . . . 50.0 112.327 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.447 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 41.6 ttt180 -55.43 -30.17 59.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.775 -2.011 . . . . 25.0 113.389 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.52 3.6 7.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 57.38 38.43 28.38 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.981 0.896 . . . . 25.0 112.947 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.4 p -78.71 -8.39 58.66 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.84 -0.537 . . . . 25.0 112.314 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.64 63.02 Favored Glycine 0 C--O 1.23 -0.132 0 N-CA-C 107.928 -2.069 . . . . 25.0 107.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.58 136.32 12.49 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 114.102 -1.049 . . . . 25.0 109.996 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -98.26 125.03 43.17 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.469 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -80.91 -169.29 41.09 Favored Glycine 0 C--O 1.191 -2.593 0 N-CA-C 109.234 -1.547 . . . . 25.0 109.234 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -59.85 -59.81 0.36 Allowed 'Trans proline' 0 C--N 1.329 -0.467 0 CA-C-N 121.504 2.652 . . . . 25.0 114.016 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.45 -16.82 64.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 25.0 110.955 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 9.8 mt-10 -89.62 -45.59 9.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 120.109 -0.636 . . . . 50.0 110.018 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.45 ' CG ' HG21 ' A' ' 807' ' ' VAL . 24.7 t80 -59.14 -39.43 82.37 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 124.24 1.016 . . . . 25.0 110.961 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -23.15 65.83 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.936 -0.575 . . . . 25.0 110.438 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.58 -34.13 21.53 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.1 -46.8 89.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.724 0.773 . . . . 25.0 109.372 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.37 -18.83 60.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 116.451 2.019 . . . . 25.0 116.451 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.55 -38.28 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -73.74 -7.8 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.649 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.2 -5.58 15.88 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 123.371 0.42 . . . . 25.0 110.342 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 75.25 44.87 21.32 Favored Glycine 0 C--O 1.221 -0.658 0 C-N-CA 118.294 -1.907 . . . . 25.0 111.515 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.07 162.72 0.26 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 120.866 3.654 . . . . 25.0 120.866 -178.306 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.544 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.0 t0 -85.0 9.98 13.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.008 1.723 . . . . 25.0 110.643 -175.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.0 169.84 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.247 -0.888 . . . . 25.0 108.663 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.4 -168.12 17.37 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 107.982 -2.047 . . . . 25.0 107.982 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.33 48.45 1.4 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -109.51 153.79 42.66 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.886 -1.052 . . . . 25.0 109.142 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.21 -25.52 57.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 116.859 -1.627 . . . . 25.0 112.926 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.31 -43.25 19.38 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.519 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.45 -31.51 68.35 Favored Glycine 0 C--O 1.213 -1.161 0 C-N-CA 120.141 -1.028 . . . . 25.0 114.24 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.4 -27.47 68.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.118 0.959 . . . . 25.0 109.778 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.84 -40.45 47.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -70.85 -36.0 72.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -49.25 72.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 174.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.82 74.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.109 0.481 . . . . 25.0 111.637 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.77 -41.81 98.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.4 mt -71.77 -41.66 70.29 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -27.53 31.43 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.168 0.508 . . . . 25.0 110.937 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.59 -32.33 53.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.907 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.8 pt -85.57 -23.48 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.691 -0.631 . . . . 25.0 111.946 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.551 HG23 HG22 ' A' ' 807' ' ' VAL . 33.5 m -92.42 24.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.974 0.893 . . . . 25.0 110.56 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -124.62 62.86 34.87 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 121.909 0.861 . . . . 25.0 110.373 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.0 -0.22 6.79 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 N-CA-C 115.068 1.142 . . . . 25.0 115.068 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.47 -2.76 14.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 37.9 25.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.11 0.964 . . . . 25.0 112.789 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.494 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.33 -7.23 18.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.572 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.19 62.31 Favored Glycine 0 C--N 1.323 -0.147 0 C-N-CA 121.204 -0.522 . . . . 25.0 113.407 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.494 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.83 152.19 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -178.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.551 HG22 HG23 ' A' ' 799' ' ' VAL . 47.9 t -93.89 128.43 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.6 166.93 10.52 Favored 'General case' 0 C--O 1.206 -1.208 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.501 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -48.49 -42.42 32.76 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 114.881 1.438 . . . . 25.0 114.881 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -15.46 59.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.441 0.639 . . . . 25.0 110.55 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 811' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -90.19 -37.02 14.44 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.26 -0.882 . . . . 25.0 111.457 -177.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.501 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 68.5 m-85 -58.17 -31.81 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 25.0 111.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.44 HG21 ' HE1' ' A' ' 748' ' ' MET . 10.3 mm -61.53 -31.97 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.52 0.676 . . . . 25.0 111.363 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -50.95 -45.22 60.63 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.578 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.544 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.2 t80 -74.01 -43.18 58.88 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 121.545 0.688 . . . . 25.0 110.743 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -56.15 -28.61 58.65 Favored 'General case' 0 C--O 1.207 -1.138 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 28.2 t -85.86 -19.85 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 120.153 -1.592 . . . . 25.0 110.911 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.08 -27.82 61.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.49 ' HB3' HE22 ' A' ' 856' ' ' GLN . 4.8 tt0 -57.4 -16.39 9.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.611 1.564 . . . . 25.0 113.789 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 55.2 p -71.07 -4.31 24.39 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.76 -0.587 . . . . 25.0 111.88 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.54 146.25 24.23 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.32 139.13 54.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.541 -0.299 . . . . 25.0 110.202 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.86 152.75 40.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.57 -47.16 79.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.416 1.103 . . . . 25.0 110.499 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -15.78 63.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.532 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.16 65.77 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 111.836 0.309 . . . . 25.0 111.836 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -57.02 -36.34 70.33 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.105 0.955 . . . . 25.0 109.947 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -67.06 -38.88 86.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.222 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.63 -36.07 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 92.6 mtp -68.03 -14.76 63.22 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.513 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.88 -19.4 1.73 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 112.463 0.542 . . . . 25.0 112.463 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 81.3 p -53.34 -28.24 27.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.152 0.581 . . . . 25.0 112.244 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' PHE . . . . . 0.411 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.3 OUTLIER -60.31 -24.1 64.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.632 0.651 . . . . 25.0 112.312 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -77.78 -36.02 50.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 121.118 -0.989 . . . . 25.0 108.835 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.08 -43.32 85.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.76 -46.19 89.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.8 94.25 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.0 -96.84 1.6 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 108.388 -1.885 . . . . 25.0 108.388 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.17 1.71 11.37 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -81.21 155.07 26.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -87.72 2.36 51.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.977 1.473 . . . . 25.0 114.977 -175.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -148.77 161.77 41.12 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 105.773 -1.936 . . . . 25.0 105.773 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.4 tp -114.15 153.62 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 68.9 p -92.82 151.36 20.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.4 mtt -57.13 -32.61 66.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.358 0.599 . . . . 25.0 109.472 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.85 -33.38 75.49 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.575 -0.739 . . . . 25.0 112.453 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.09 -40.46 78.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.25 -40.24 90.06 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -76.12 13.8 0.83 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.014 -0.539 . . . . 25.0 112.401 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -111.04 -36.47 5.63 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.97 -29.96 21.64 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.23 93.12 48.81 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 25.0 110.811 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.88 -21.67 63.96 Favored 'Trans proline' 0 CA--C 1.579 2.757 0 C-N-CA 114.441 -3.239 . . . . 25.0 118.144 169.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -84.61 -165.45 0.3 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 N-CA-C 117.365 2.025 . . . . 25.0 117.365 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.56 -26.45 5.28 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.8 1.64 . . . . 25.0 112.446 174.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 856' ' ' GLN . . . . . 0.49 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.0 mm-40 -54.96 -36.2 65.07 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.153 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.01 63.77 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.713 -0.617 . . . . 25.0 112.48 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.29 -31.41 68.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.05 0.452 . . . . 25.0 110.645 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -54.78 39.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 172.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 95.8 m -61.78 -41.5 97.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.671 -0.241 . . . . 25.0 111.085 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 40.7 mt -60.07 -41.17 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.017 0.437 . . . . 25.0 110.421 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 862' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -66.02 -32.42 73.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -92.11 -9.88 40.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.975 0.417 . . . . 25.0 111.285 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.54 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.8 ttm -79.16 154.1 29.56 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.319 -0.863 . . . . 25.0 112.86 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.647 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -73.69 138.13 77.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.831 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 94.61 1.02 Allowed 'Trans proline' 0 CA--C 1.529 0.23 1 C-N-CA 126.039 4.493 . . . . 25.0 115.488 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.61 113.73 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.501 0.667 . . . . 25.0 112.591 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.8 p -136.58 163.03 31.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.1 175.48 37.83 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.0 -22.76 16.85 Favored 'Trans proline' 0 C--O 1.221 -0.358 0 C-N-CA 122.547 2.165 . . . . 25.0 114.644 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.03 11.3 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 m -107.31 167.4 9.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.355 -1.293 . . . . 25.0 109.115 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.67 156.87 34.69 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.78 0.86 6.44 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 O-C-N 122.357 0.662 . . . . 25.0 113.615 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -130.36 54.63 0.78 Allowed Glycine 0 C--O 1.22 -0.764 0 N-CA-C 111.385 -0.686 . . . . 25.0 111.385 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -113.04 139.67 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -142.03 152.21 43.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.727 -0.215 . . . . 25.0 111.46 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 26.1 t0 -88.75 106.09 18.13 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.416 0.627 . . . . 25.0 110.126 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 879' ' ' TYR . . . . . 0.411 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 46.0 p90 -69.82 -31.43 69.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 114.891 -1.05 . . . . 25.0 112.454 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -94.0 -18.44 21.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 16.0 t -110.9 19.14 18.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.54 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 9.1 p90 -55.55 163.9 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.033 -0.985 . . . . 25.0 113.385 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 48.1 t -93.31 131.16 38.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.72 -0.673 . . . . 25.0 110.622 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.3 p -87.83 17.6 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.819 0.818 . . . . 25.0 108.8 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -134.92 150.49 50.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.73 143.81 55.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.841 -1.072 . . . . 25.0 111.745 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 887' ' ' TYR . . . . . 0.407 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 2.4 p90 -36.34 -46.52 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.99 1.848 . . . . 25.0 115.99 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 76.13 -161.73 52.16 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 111.002 -0.839 . . . . 25.0 111.002 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -151.95 149.77 29.28 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.113 -2.551 . . . . 25.0 104.113 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.0 t -150.85 166.04 31.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 61.4 tp . . . . . 0 C--O 1.253 1.289 0 CA-C-O 116.261 -1.828 . . . . 25.0 106.813 178.852 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.38 -0.688 . . . . 25.0 111.38 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.0 m -98.81 142.68 30.04 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 103.116 -2.92 . . . . 25.0 103.116 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 m -63.43 -123.88 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 117.467 2.395 . . . . 25.0 117.467 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 145.75 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 O-C-N 120.902 -1.123 . . . . 25.0 111.585 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.3 p -97.88 164.43 12.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.146 0.498 . . . . 25.0 110.231 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.79 -31.69 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.227 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.74 -35.55 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.285 -0.566 . . . . 25.0 110.627 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -60.08 -42.68 95.12 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 121.127 0.489 . . . . 25.0 110.302 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.623 ' HE2' HG21 ' A' ' 813' ' ' ILE . 3.9 ptp -73.45 -21.04 60.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.19 -0.671 . . . . 25.0 109.19 -177.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.93 -39.91 20.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.24 -175.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -38.03 54.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.405 -0.961 . . . . 25.0 108.405 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 53.2 t80 -69.83 -25.5 63.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.46 64.76 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 120.974 -1.079 . . . . 25.0 109.062 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.57 -19.99 62.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.256 0.48 . . . . 25.0 109.836 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 4.3 t -63.1 -15.68 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.865 0.364 . . . . 25.0 110.566 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -23.36 31.0 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.014 1.116 . . . . 25.0 114.014 173.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -112.93 -15.97 12.78 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 120.713 0.292 . . . . 25.0 111.409 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -62.53 -51.31 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.01 1.28 30.91 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.856 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.425 ' HA ' HD13 ' A' ' 766' ' ' LEU . 14.6 t0 -55.32 103.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.715 1.245 . . . . 50.0 113.225 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.435 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 77.1 ttt180 -55.87 -30.88 62.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.013 -1.903 . . . . 25.0 113.504 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -121.74 -0.64 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.54 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 58.58 36.23 25.02 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.2 p -74.26 -9.31 58.48 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 176.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.16 15.36 60.88 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.607 -1.797 . . . . 25.0 108.607 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.91 136.29 12.13 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.482 ' HB2' ' HZ ' ' A' ' 812' ' ' PHE . 4.6 mm? -88.55 141.71 28.3 Favored 'General case' 0 C--O 1.206 -1.237 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 767' ' ' GLY . . . . . 0.505 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -91.77 -167.42 40.39 Favored Glycine 0 C--O 1.207 -1.564 0 N-CA-C 107.127 -2.389 . . . . 25.0 107.127 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -64.03 -62.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.6 0 CA-C-N 120.138 1.969 . . . . 25.0 113.691 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -64.26 -16.99 63.17 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.675 0.75 . . . . 25.0 110.579 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 5.3 mt-10 -87.6 -47.01 9.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.876 -0.602 . . . . 50.0 111.089 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.661 ' CD2' HG11 ' A' ' 807' ' ' VAL . 1.3 t80 -64.87 -31.48 72.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.914 -1.116 . . . . 25.0 110.399 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -21.91 62.75 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.74 -34.85 22.78 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.59 -49.56 76.12 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' A' ' 771' ' ' PHE . 10.0 mt -60.81 -18.21 54.13 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 115.752 1.76 . . . . 25.0 115.752 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.59 -39.6 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.5 m -76.79 -8.29 57.03 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.379 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.07 -15.72 16.65 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.252 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.93 51.91 2.02 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 118.947 -1.597 . . . . 25.0 111.375 177.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.59 158.07 30.78 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.28 2.696 . . . . 25.0 118.28 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 781' ' ' ASP . . . . . 0.449 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 30.2 t0 -84.46 10.85 9.75 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.985 1.714 . . . . 25.0 111.967 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.3 171.16 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.21 -0.904 . . . . 25.0 108.625 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.06 -165.39 12.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.651 -0.979 . . . . 25.0 110.651 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -85.61 48.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.351 0.596 . . . . 25.0 110.526 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.33 152.41 54.89 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.68 -21.96 44.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 117.943 -0.905 . . . . 25.0 111.357 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.36 -46.66 59.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.69 -31.22 73.07 Favored Glycine 0 C--O 1.205 -1.657 0 C-N-CA 120.773 -0.727 . . . . 25.0 112.408 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -63.66 -30.25 71.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 118.138 0.969 . . . . 25.0 110.571 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -73.76 -40.6 63.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -71.46 -36.04 71.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.089 -0.959 . . . . 25.0 109.779 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.95 98.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.01 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.2 -0.296 . . . . 25.0 110.2 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -65.99 -43.06 88.89 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.449 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.68 -44.33 89.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.53 43.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.51 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 35.6 t -84.17 -18.42 36.76 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 24.1 pt -95.26 -22.34 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.822 -0.549 . . . . 25.0 111.062 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.568 ' HB ' ' HB1' ' A' ' 811' ' ' ALA . 36.0 m -93.94 19.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -115.7 62.8 2.0 Allowed Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.619 -0.675 . . . . 25.0 109.941 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.65 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.355 0.902 0 CA-C-O 121.642 0.601 . . . . 25.0 112.581 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -98.97 -2.26 37.86 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 106.977 -1.49 . . . . 25.0 106.977 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 53.3 37.42 25.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.11 1.364 . . . . 25.0 114.169 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -10.85 23.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.983 -1.462 . . . . 25.0 110.591 176.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 73.07 24.01 76.64 Favored Glycine 0 N--CA 1.462 0.403 0 CA-C-O 121.754 0.641 . . . . 25.0 113.708 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.28 163.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 1 N-CA-C 100.146 -4.02 . . . . 25.0 100.146 177.255 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.661 HG11 ' CD2' ' A' ' 771' ' ' PHE . 97.7 t -97.97 116.68 41.25 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.31 1 CA-C-O 81.093 -18.575 . . . . 25.0 116.808 -167.612 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 808' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 811' ' ' ALA . 0.7 OUTLIER -117.59 178.78 4.27 Favored 'General case' 0 C--N 1.261 -3.281 2 O-C-N 77.812 -28.055 . . . . 25.0 102.146 -160.232 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -48.89 -41.37 33.2 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 115.179 1.548 . . . . 25.0 115.179 176.46 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -15.5 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.283 0.563 . . . . 25.0 110.24 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 811' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -91.56 -39.65 11.79 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.098 -176.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.636 ' CE1' ' HD2' ' A' ' 771' ' ' PHE . 61.9 m-85 -54.25 -32.08 55.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.065 -0.971 . . . . 25.0 112.531 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.623 HG21 ' HE2' ' A' ' 748' ' ' MET . 13.3 mm -57.1 -34.77 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.541 0.686 . . . . 25.0 110.355 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -46.59 -51.6 15.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.695 -1.139 . . . . 25.0 110.247 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.449 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.8 t80 -71.39 -42.62 68.15 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.418 -0.513 . . . . 25.0 111.201 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.479 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -54.62 -33.12 60.0 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.4 t -79.49 -19.87 48.66 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 120.252 -1.53 . . . . 25.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -79.01 -21.6 46.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.0 -4.91 1.15 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.188 1.395 . . . . 25.0 113.091 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 p -76.25 -6.64 52.32 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.49 -0.756 . . . . 25.0 110.156 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -104.91 148.19 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -89.53 157.0 18.26 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -175.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.04 163.74 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.17 -0.923 . . . . 25.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.6 -38.78 78.71 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.656 1.217 . . . . 25.0 109.736 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.0 p -75.4 -18.07 60.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.772 -1.104 . . . . 25.0 112.042 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.59 -19.34 63.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.768 0.318 . . . . 25.0 110.876 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.12 -38.31 79.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.54 -29.61 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 98.8 mtp -64.63 -9.68 21.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.408 0.521 . . . . 25.0 112.408 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.92 63.61 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.641 -0.662 . . . . 25.0 111.325 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -59.16 -26.3 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.313 0.578 . . . . 25.0 111.16 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.98 -23.37 66.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' LYS . . . . . 0.404 ' HD2' ' CE1' ' A' ' 879' ' ' TYR . 7.4 tptt -72.37 -36.44 68.74 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.187 -0.946 . . . . 25.0 108.823 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.34 -42.53 93.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.24 -46.83 88.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.589 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.67 91.65 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.698 0.761 . . . . 25.0 110.019 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.74 -87.79 1.05 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.739 -0.743 . . . . 25.0 111.775 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.02 -16.83 11.6 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 16.3 ptmt -76.1 154.1 35.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 25.0 110.774 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -81.22 -5.27 57.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.973 1.101 . . . . 25.0 113.973 -176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 842' ' ' TYR . . . . . 0.437 ' CD1' ' HB1' ' A' ' 876' ' ' ALA . 34.6 p90 -147.18 164.17 34.0 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.7 tp -115.14 148.17 18.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.1 p -88.85 150.98 22.63 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 49.8 mtt -55.18 -30.84 60.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 25.0 111.143 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.43 -37.11 79.96 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.691 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.07 -35.05 78.99 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 109.964 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.78 -42.13 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -75.49 16.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.594 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -107.12 -32.41 7.84 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.1 -28.46 12.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.879 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 857' ' ' ALA . 0.0 OUTLIER -114.24 84.54 9.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.243 -0.28 . . . . 25.0 110.243 176.244 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -63.8 -22.84 69.26 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 C-N-CA 113.452 -3.899 . . . . 25.0 117.148 167.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -81.79 -168.43 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.531 0 N-CA-C 116.139 1.553 . . . . 25.0 116.139 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -26.3 6.42 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.386 1.254 . . . . 25.0 114.386 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -57.06 -31.21 64.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.391 -0.193 . . . . 25.0 110.518 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -64.42 -46.86 81.38 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.477 -0.764 . . . . 25.0 111.349 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.42 -30.96 57.64 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 119.909 -0.716 . . . . 25.0 112.773 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -51.6 60.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 170.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.25 -42.51 93.23 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.993 -0.549 . . . . 25.0 110.983 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.4 -40.35 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 122.746 0.419 . . . . 25.0 110.389 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.65 96.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.181 0.515 . . . . 25.0 111.676 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -77.8 -18.06 56.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.905 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.581 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.3 ttm -72.82 147.97 44.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.601 1.334 . . . . 25.0 114.601 -175.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -70.14 139.85 87.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.993 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.29 92.89 1.1 Allowed 'Trans proline' 0 C--O 1.234 0.301 1 C-N-CA 125.97 4.446 . . . . 25.0 114.614 -175.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 0.9 OUTLIER -88.64 115.92 26.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.414 1.102 . . . . 25.0 113.794 -178.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.7 p -133.24 149.39 51.98 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.205 -2.146 . . . . 25.0 105.205 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 156.2 -172.48 34.07 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 109.275 -1.53 . . . . 25.0 109.275 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -74.75 -26.92 10.99 Favored 'Trans proline' 0 CA--C 1.534 0.475 0 CA-C-N 119.454 1.627 . . . . 25.0 114.922 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -87.18 -28.58 22.33 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.771 1.272 . . . . 25.0 108.552 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.0 m -80.28 158.7 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.843 -1.526 . . . . 25.0 111.083 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.22 162.18 45.5 Favored Pre-proline 0 CA--C 1.484 -1.581 0 N-CA-C 106.994 -1.484 . . . . 25.0 106.994 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.22 130.79 26.45 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 114.048 -3.501 . . . . 25.0 107.845 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 91.69 32.24 8.77 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.033 -173.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 876' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 842' ' ' TYR . . . -112.86 136.64 52.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.94 -1.134 . . . . 25.0 107.94 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.93 154.3 44.98 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.446 ' HB2' ' CE1' ' A' ' 867' ' ' TYR . 18.5 t0 -87.74 108.84 19.31 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.467 0.651 . . . . 25.0 111.874 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 879' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' A' ' 834' ' ' LYS . 33.0 p90 -64.27 -34.83 79.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.705 -1.134 . . . . 25.0 112.276 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -98.67 -19.28 17.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.2 t -108.84 18.91 20.24 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.004 0.431 . . . . 25.0 110.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.581 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 -53.14 158.95 1.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.0 t -89.01 107.8 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.61 -0.723 . . . . 25.0 112.822 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 24.0 p -72.32 -16.68 61.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -86.38 13.11 8.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.819 -0.628 . . . . 25.0 110.464 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.9 mp 64.15 179.76 0.17 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.298 1.039 . . . . 25.0 113.155 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -68.42 -16.54 63.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 114.975 1.472 . . . . 25.0 114.975 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 61.65 47.01 93.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 115.159 0.824 . . . . 25.0 115.159 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.18 -40.86 86.63 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.142 1.164 . . . . 25.0 114.142 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 78.8 p -159.16 172.4 18.15 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.177 -0.327 . . . . 25.0 111.706 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 7.4 t0 60.2 42.78 14.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.823 1.249 . . . . 25.0 113.144 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.255 1.367 0 CA-C-O 116.416 -1.755 . . . . 25.0 107.734 178.729 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.004 0 CA-C-O 119.031 -0.871 . . . . 25.0 113.064 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.6 m 46.31 39.35 6.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 117.583 2.438 . . . . 25.0 117.583 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 42.3 m -132.39 150.52 52.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.23 1.014 . . . . 25.0 113.568 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.23 147.81 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 744' ' ' SER . . . . . 0.53 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 7.4 t -97.54 167.02 11.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.344 0.592 . . . . 25.0 110.477 176.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -65.05 -30.14 71.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 25.0 109.748 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -75.95 -40.85 53.15 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -59.66 -40.78 88.87 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.822 0.344 . . . . 25.0 110.617 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 748' ' ' MET . . . . . 0.416 ' HE2' HG21 ' A' ' 813' ' ' ILE . 5.1 ptp -74.21 -21.41 59.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.91 -30.47 26.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.359 0.503 . . . . 25.0 112.359 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.47 -39.51 18.83 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.49 -0.756 . . . . 25.0 109.701 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.4 t80 -67.87 -25.48 65.54 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.304 0.853 . . . . 25.0 113.304 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -19.65 46.79 Favored 'General case' 0 C--O 1.198 -1.622 0 O-C-N 121.474 -0.767 . . . . 25.0 110.181 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.56 60.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.188 0.904 . . . . 25.0 110.046 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.6 t -62.14 -15.77 48.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.257 0.551 . . . . 25.0 109.869 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -24.05 54.59 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -108.81 -6.08 15.99 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 120.746 0.308 . . . . 25.0 110.846 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -70.93 -54.43 11.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.559 0.577 . . . . 25.0 112.559 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 758' ' ' PHE . . . . . 0.42 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 3.4 m-85 -103.19 4.2 36.55 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 759' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 14.9 t0 -56.09 100.8 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.935 1.35 . . . . 50.0 112.171 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 63.5 ttt180 -60.48 -33.76 73.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 112.771 -2.013 . . . . 25.0 112.998 -171.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -115.62 1.49 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 50.0 109.634 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . 0.256 31.8 p-80 51.72 33.21 10.61 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.533 1.679 . . . . 25.0 115.533 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 55.1 p -64.62 -17.27 63.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.867 0.867 . . . . 25.0 112.594 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 98.85 11.47 46.56 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 108.346 -1.901 . . . . 25.0 108.346 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.34 138.91 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 766' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.3 mm? -89.13 125.54 35.08 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.11 -167.74 38.56 Favored Glycine 0 C--O 1.194 -2.396 0 N-CA-C 109.054 -1.619 . . . . 25.0 109.054 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -61.11 -60.98 0.19 Allowed 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-N 120.921 2.361 . . . . 25.0 114.192 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -16.82 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.927 0.87 . . . . 25.0 110.394 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 13.7 mt-10 -87.84 -45.66 10.1 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.931 -0.577 . . . . 50.0 109.853 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.472 ' CG ' HG21 ' A' ' 807' ' ' VAL . 28.6 t80 -58.13 -41.19 83.12 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 25.0 111.447 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -25.27 68.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.2 -33.63 22.22 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 774' ' ' CYS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 43.4 t -62.32 -46.31 89.31 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 122.035 0.921 . . . . 25.0 108.936 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.3 -19.03 53.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 116.422 2.008 . . . . 25.0 116.422 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.97 -38.98 83.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 48.8 m -77.54 -9.19 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.01 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.06 -15.31 19.07 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.797 -0.446 . . . . 25.0 109.797 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.89 51.27 3.65 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 118.458 -1.829 . . . . 25.0 110.165 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.2 164.81 4.94 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.648 2.092 . . . . 25.0 116.648 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.0 17.71 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.853 0.835 . . . . 25.0 111.173 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.18 175.12 11.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 114.842 -1.072 . . . . 25.0 108.864 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -152.41 -173.73 22.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 105.321 -3.111 . . . . 25.0 105.321 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 7.62 13.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.285 1.042 . . . . 25.0 110.136 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.38 153.49 76.0 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.083 -0.962 . . . . 25.0 108.594 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.82 -23.89 41.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 116.599 -1.801 . . . . 25.0 112.055 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -50.01 41.0 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.92 89.19 Favored Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.396 -0.907 . . . . 25.0 114.265 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 118.311 1.055 . . . . 25.0 110.445 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.37 -40.86 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.73 -34.38 69.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.549 -0.751 . . . . 25.0 110.028 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.411 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.91 -44.13 97.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 175.646 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.81 72.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.689 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -60.86 -42.11 97.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.6 mt -72.06 -40.49 67.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -28.57 24.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.512 . . . . 25.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.86 -33.19 52.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.619 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.4 pt -84.19 -23.75 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.589 -0.694 . . . . 25.0 111.632 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 807' ' ' VAL . 30.7 m -91.6 20.26 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.909 0.861 . . . . 25.0 110.207 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -122.83 61.1 15.97 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.459 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -1.98 8.5 Favored 'Trans proline' 0 C--N 1.348 0.509 0 N-CA-C 114.867 1.064 . . . . 25.0 114.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -112.23 -3.32 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 39.52 20.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.238 1.015 . . . . 25.0 112.287 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.513 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.06 -8.34 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.09 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.36 23.39 63.07 Favored Glycine 0 N--CA 1.459 0.226 0 C-N-CA 121.217 -0.516 . . . . 25.0 113.947 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.513 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.58 153.03 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 -178.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 799' ' ' VAL . 48.7 t -97.44 127.09 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.255 0.55 . . . . 25.0 110.239 -175.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 169.91 8.35 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.575 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -49.12 -45.37 43.43 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.327 1.232 . . . . 25.0 114.327 179.611 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -18.91 62.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 25.0 110.384 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.96 20.04 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.67 -0.696 . . . . 25.0 110.972 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.445 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.3 m-85 -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 25.0 112.065 -179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.416 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.6 mm -62.45 -31.29 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.42 0.629 . . . . 25.0 110.381 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -44.63 -54.04 6.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.391 -1.277 . . . . 25.0 109.51 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' PHE . . . . . 0.441 ' HA ' ' HG3' ' A' ' 818' ' ' ARG . 2.1 t80 -72.54 -42.03 65.15 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.655 -0.418 . . . . 25.0 111.996 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -29.29 35.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.534 1.679 . . . . 25.0 115.534 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 37.4 t -84.63 -20.07 31.96 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.379 -1.451 . . . . 25.0 111.142 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' ARG . . . . . 0.441 ' HG3' ' HA ' ' A' ' 815' ' ' PHE . 5.2 mtm105 -71.97 -21.74 61.54 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.376 0.608 . . . . 25.0 109.914 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -49.75 -22.79 1.51 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.367 1.867 . . . . 25.0 114.113 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.8 p -72.32 -2.13 17.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -105.16 158.82 16.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.886 0.475 . . . . 25.0 111.182 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -71.46 141.35 50.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.48 158.96 43.22 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.63 -0.259 . . . . 25.0 111.326 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.64 -46.48 72.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.381 1.086 . . . . 25.0 109.775 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.8 p -64.15 -21.81 66.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.666 -1.152 . . . . 25.0 112.016 177.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.467 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -55.68 -25.53 40.17 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.95 1.093 . . . . 25.0 113.95 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.77 -33.13 72.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.748 0.785 . . . . 25.0 110.622 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -74.56 -37.69 62.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.857 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 826' ' ' ALA . 12.6 p -80.87 -36.34 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.314 -0.555 . . . . 25.0 111.123 -175.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.6 ppp? -66.86 -13.18 61.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.232 0.539 . . . . 25.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.28 -19.56 47.08 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.8 p -56.0 -28.93 59.35 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 122.855 0.462 . . . . 25.0 112.041 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.25 -27.13 68.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.412 0.551 . . . . 25.0 111.7 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -36.02 69.73 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.33 -39.05 63.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.815 -1.55 . . . . 25.0 106.815 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.92 92.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.122 -0.945 . . . . 25.0 111.325 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.93 73.94 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.745 0.783 . . . . 25.0 109.282 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.83 -86.32 1.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.346 -0.702 . . . . 25.0 111.346 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -114.98 -21.76 9.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.429 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 14.4 ptmt -73.69 155.78 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 25.0 110.294 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -85.53 -5.1 59.32 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -140.89 162.72 34.79 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 106.774 -1.565 . . . . 25.0 106.774 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' ILE . . . . . 0.496 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.3 tp -116.65 149.42 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 63.4 p -89.32 155.76 19.15 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.3 mtt -57.37 -34.28 68.68 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.281 -0.872 . . . . 25.0 112.159 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.496 ' HB2' HG13 ' A' ' 843' ' ' ILE . 15.8 mt-10 -72.52 -36.03 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.168 -0.333 . . . . 25.0 110.651 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.27 -41.4 81.1 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.93 31.74 0.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.329 0.651 . . . . 25.0 111.128 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 850' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 847' ' ' GLU . 0.5 OUTLIER -129.16 -32.7 2.01 Favored 'General case' 0 CA--C 1.49 -1.351 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 -176.36 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.504 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.3 pt-20 -101.79 -22.34 14.4 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.174 -1.376 . . . . 25.0 108.546 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.504 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.8 mt -122.12 86.79 47.26 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.044 0.537 . . . . 25.0 111.951 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.61 -25.05 69.49 Favored 'Trans proline' 0 CA--C 1.577 2.662 0 C-N-CA 114.172 -3.419 . . . . 25.0 117.652 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.53 ' HB3' ' H ' ' A' ' 744' ' ' SER . 56.2 Cg_endo -77.25 -170.77 0.99 Allowed 'Trans proline' 0 C--N 1.364 1.367 0 N-CA-C 115.639 1.361 . . . . 25.0 115.639 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.45 0.42 5.21 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -30.37 70.31 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.439 -2.06 . . . . 25.0 105.439 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.82 68.57 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.894 -0.504 . . . . 25.0 111.527 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -35.95 81.74 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.21 -0.596 . . . . 25.0 110.428 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -52.78 63.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.6 m -62.87 -43.24 99.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.132 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.79 -40.25 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.778 0.431 . . . . 25.0 110.56 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -9.0 58.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.074 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.9 ttm -80.68 152.43 28.43 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.458 -0.776 . . . . 25.0 112.838 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -75.89 143.35 74.33 Favored Pre-proline 0 C--O 1.215 -0.712 0 O-C-N 122.024 -0.423 . . . . 25.0 111.596 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.86 93.0 1.11 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 125.232 3.955 . . . . 25.0 115.103 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.401 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.1 m-85 -91.22 115.46 28.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.312 1.053 . . . . 25.0 113.194 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 75.3 p -133.15 164.59 26.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 152.51 -179.98 28.56 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 109.431 -1.467 . . . . 25.0 109.431 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.39 -30.36 12.71 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 121.574 1.516 . . . . 25.0 114.997 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -91.0 -10.09 43.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 122.156 0.979 . . . . 25.0 109.226 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 16.2 m -83.35 164.41 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.652 -1.158 . . . . 25.0 110.294 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.7 m -115.89 157.55 44.52 Favored Pre-proline 0 C--N 1.314 -0.938 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.65 58.93 4.79 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.378 2.052 . . . . 25.0 113.272 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 164.6 45.16 0.02 OUTLIER Glycine 0 C--O 1.219 -0.797 0 N-CA-C 107.978 -2.049 . . . . 25.0 107.978 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.82 136.6 52.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -141.73 149.68 40.82 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.419 0.155 . . . . 25.0 111.419 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 25.3 t0 -86.97 110.4 20.01 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.759 -0.588 . . . . 25.0 110.872 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -67.23 -37.43 83.55 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.253 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.12 -31.82 17.81 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.097 1.147 . . . . 25.0 114.097 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.7 t -99.69 20.11 14.66 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.04 0.447 . . . . 25.0 110.656 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.8 p90 -48.35 159.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 175.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 47.7 t -79.43 122.88 26.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.583 -0.735 . . . . 25.0 110.339 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 56.0 p -75.48 -12.3 60.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.38 132.73 37.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.58 155.19 33.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.165 -0.925 . . . . 25.0 109.955 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -64.92 33.87 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 117.229 2.307 . . . . 25.0 117.229 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -86.84 -16.42 61.45 Favored Glycine 0 C--O 1.226 -0.347 0 O-C-N 121.609 -0.682 . . . . 25.0 112.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 56.49 -161.29 0.2 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.882 0.873 . . . . 25.0 111.959 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 91.7 p -156.54 169.31 24.94 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.795 -0.446 . . . . 25.0 109.795 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.3 -28.81 47.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.676 0.75 . . . . 25.0 109.65 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 C--O 1.254 1.325 0 CA-C-O 115.97 -1.967 . . . . 25.0 106.424 -179.422 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 118.712 -1.049 . . . . 25.0 111.429 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 13.5 m -112.94 9.98 18.88 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.3 p -72.63 -28.38 62.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.341 1.067 . . . . 25.0 110.379 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 743' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -66.26 143.17 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.978 -1.01 . . . . 25.0 108.537 176.362 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 41.8 m -88.01 160.2 17.97 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.725 -0.61 . . . . 25.0 110.204 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -63.45 -26.17 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.699 -0.682 . . . . 25.0 110.641 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -82.85 -39.65 21.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 119.585 -0.245 . . . . 25.0 110.621 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 747' ' ' GLN . . . . . 0.46 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.7 tp60 -57.64 -41.11 80.74 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.346 0.593 . . . . 25.0 110.138 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -74.35 -21.05 59.87 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.706 -0.621 . . . . 25.0 109.336 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -33.39 23.48 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.946 -0.302 . . . . 25.0 111.132 -175.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -81.97 -36.92 27.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 751' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 33.6 t80 -69.94 -27.22 64.57 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 752' ' ' ARG . . . . . 0.673 ' O ' ' HB3' ' A' ' 755' ' ' PHE . 5.7 ppt_? -66.11 -12.72 57.49 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.62 -18.78 61.56 Favored 'General case' 0 CA--C 1.473 -2.011 0 O-C-N 118.831 -2.418 . . . . 25.0 110.781 173.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -19.78 65.93 Favored 'General case' 1 C--O 1.061 -8.848 0 N-CA-C 117.016 2.228 . . . . 25.0 117.016 177.193 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 755' ' ' PHE . . . . . 0.673 ' HB3' ' O ' ' A' ' 752' ' ' ARG 0.322 0.0 OUTLIER -43.24 -37.35 2.12 Favored 'General case' 0 C--O 1.286 3.025 0 C-N-CA 129.054 2.942 . . . . 25.0 112.714 163.764 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -112.01 -15.34 13.31 Favored 'General case' 0 C--N 1.264 -3.131 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -65.3 -54.15 33.41 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.28 2.97 40.36 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.352 0.407 . . . . 25.0 111.48 -177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -55.8 104.62 0.14 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.173 0.987 . . . . 50.0 112.717 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 760' ' ' ARG . . . . . 0.498 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 22.6 ttt-85 -55.36 -31.91 62.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.188 -1.824 . . . . 25.0 113.105 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -120.51 -1.91 10.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.422 -0.353 . . . . 50.0 111.145 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 60.95 33.91 19.65 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 71.9 p -73.14 -11.6 60.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 123.685 0.794 . . . . 25.0 112.728 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.56 17.27 55.27 Favored Glycine 0 C--O 1.195 -2.292 0 N-CA-C 104.973 -3.251 . . . . 25.0 104.973 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -158.26 137.8 11.9 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.72 124.89 42.24 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.76 -166.12 38.45 Favored Glycine 0 C--O 1.196 -2.24 0 N-CA-C 109.242 -1.543 . . . . 25.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -61.82 -59.74 0.26 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.843 2.322 . . . . 25.0 115.038 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -17.01 63.91 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.418 1.104 . . . . 25.0 110.046 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.498 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.4 mt-10 -86.27 -47.77 9.12 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 771' ' ' PHE . . . . . 0.532 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.1 t80 -57.92 -41.42 82.67 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 123.666 0.786 . . . . 25.0 112.037 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -23.54 67.27 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.688 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.36 21.04 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.39 -46.37 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.108 0.956 . . . . 25.0 108.744 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 775' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 13.4 mt -62.04 -18.78 61.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 116.546 2.054 . . . . 25.0 116.546 -177.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.69 -40.71 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 37.5 m -77.92 -5.85 52.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.376 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.433 HD12 ' HE2' ' A' ' 816' ' ' MET . 4.5 mm? -107.72 -6.48 16.8 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.774 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.63 50.97 4.48 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 118.711 -1.709 . . . . 25.0 112.68 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.1 162.96 18.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 116.942 2.201 . . . . 25.0 116.942 -179.551 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -98.92 15.91 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.639 -175.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.26 174.99 12.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.204 -0.907 . . . . 25.0 109.783 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -164.95 -164.28 19.97 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 104.854 -3.299 . . . . 25.0 104.854 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -86.2 18.23 3.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.48 1.14 . . . . 25.0 109.006 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.75 152.53 96.24 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 114.846 -1.07 . . . . 25.0 109.692 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.79 -20.64 58.75 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 117.646 -1.103 . . . . 25.0 113.283 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -86.12 -47.51 9.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.152 0.501 . . . . 25.0 109.652 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -69.76 -27.67 72.97 Favored Glycine 0 C--O 1.207 -1.564 0 C-N-CA 120.374 -0.917 . . . . 25.0 115.116 -175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.5 -28.19 69.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 1.481 . . . . 25.0 110.552 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.18 -41.17 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -70.39 -38.6 74.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -49.06 75.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 176.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.77 76.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 25.0 111.679 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -63.09 -40.5 97.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.7 mt -70.03 -43.03 79.56 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 N-CA-C 108.295 -1.002 . . . . 25.0 108.295 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -23.71 29.84 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.13 0.491 . . . . 25.0 110.855 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.9 t -81.14 -26.51 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.407 . . . . 25.0 112.048 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.9 pt -94.02 -24.94 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' VAL . . . . . 0.45 HG23 HG22 ' A' ' 807' ' ' VAL . 35.9 m -87.38 24.0 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.558 1.171 . . . . 25.0 109.533 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.34 60.1 28.37 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.946 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.77 1.67 4.87 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 115.087 1.149 . . . . 25.0 115.087 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.34 -4.7 12.96 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 53.14 40.86 31.92 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.506 1.122 . . . . 25.0 113.673 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 806' ' ' VAL . 0.1 OUTLIER -98.23 -11.23 22.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.14 -0.936 . . . . 25.0 109.899 178.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.73 22.73 49.03 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.202 -0.454 . . . . 25.0 112.88 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' VAL . . . . . 0.428 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -145.06 153.29 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 122.945 0.498 . . . . 25.0 110.117 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 807' ' ' VAL . . . . . 0.532 HG21 ' CG ' ' A' ' 771' ' ' PHE . 46.9 t -91.62 129.24 42.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.425 0.631 . . . . 25.0 109.554 -177.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.59 164.5 12.66 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.42 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' PHE . . . . . 0.503 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.2 OUTLIER -47.27 -44.33 22.99 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 -179.305 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -18.83 61.63 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 122.023 0.916 . . . . 25.0 110.841 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.24 -38.81 15.99 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 114.73 -1.123 . . . . 25.0 111.338 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' PHE . . . . . 0.52 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 71.8 m-85 -52.8 -37.34 59.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 122.766 1.27 . . . . 25.0 111.413 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.3 mm -63.32 -32.36 56.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 114.018 -1.446 . . . . 25.0 111.823 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.44 -46.02 62.84 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.14 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -71.44 -44.43 64.84 Favored 'General case' 0 C--O 1.201 -1.463 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.433 ' HE2' HD12 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.9 -21.85 65.08 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 17.9 t -80.94 -19.53 43.98 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 120.495 -1.378 . . . . 25.0 109.08 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -72.79 -21.43 60.99 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.019 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.42 -20.26 7.15 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.233 0.958 . . . . 25.0 111.709 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 45.1 p -63.94 -13.31 44.87 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.927 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.7 125.97 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.95 152.32 40.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.6 158.4 44.52 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.963 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.46 -44.67 89.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.635 1.207 . . . . 25.0 109.984 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 14.0 p -72.62 -15.93 61.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.528 -1.214 . . . . 25.0 113.369 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.408 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -63.31 -23.37 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -175.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.86 -33.54 71.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.728 0.775 . . . . 25.0 110.148 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -70.53 -40.49 73.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.548 . . . . 25.0 111.921 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 829' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 826' ' ' ALA . 8.3 p -77.12 -34.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.1 mtm -63.85 -14.14 50.7 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.81 -19.4 4.3 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.14 -0.35 . . . . 25.0 111.47 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -52.77 -29.6 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.165 0.586 . . . . 25.0 112.431 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -23.55 66.14 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.221 0.919 . . . . 25.0 112.569 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -37.59 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.97 -1.081 . . . . 25.0 108.839 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.77 -42.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.52 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.851 0.834 . . . . 25.0 109.074 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 75.82 -90.27 0.87 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.669 -0.776 . . . . 25.0 112.307 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -114.97 -1.01 13.21 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -174.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 17.8 ptmt -94.46 157.74 15.87 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.744 -0.598 . . . . 25.0 109.921 -177.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -91.4 0.39 57.52 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.53 162.45 36.56 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 105.509 -2.034 . . . . 25.0 105.509 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.9 tp -114.91 149.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.0 p -89.85 151.64 21.66 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.6 mtt -55.19 -34.37 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.094 0.473 . . . . 25.0 109.792 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.25 -22.22 61.27 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.4 -32.59 60.82 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.782 -0.574 . . . . 25.0 109.501 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 59.3 mt -71.64 -39.25 70.5 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -79.75 33.95 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.811 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -124.27 -32.4 3.19 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.501 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 24.4 pt-20 -108.69 -18.97 13.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.763 -1.562 . . . . 25.0 108.283 177.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 852' ' ' LEU . . . . . 0.501 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.7 mt -121.74 81.0 40.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.051 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.97 -23.56 74.09 Favored 'Trans proline' 0 CA--C 1.581 2.843 0 C-N-CA 113.426 -3.916 . . . . 25.0 117.765 167.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 854' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 58.5 Cg_endo -79.9 -170.03 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 118.153 2.328 . . . . 25.0 118.153 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.41 -25.51 6.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.68 1.192 . . . . 25.0 112.383 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.61 -30.92 65.72 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.718 -0.614 . . . . 25.0 112.222 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -63.39 -48.55 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.264 -0.574 . . . . 25.0 110.148 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.17 -34.48 73.04 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 120.123 -0.631 . . . . 25.0 111.325 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.02 68.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.802 -0.636 . . . . 25.0 109.334 173.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.6 m -63.87 -44.11 94.09 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.445 -0.343 . . . . 25.0 110.867 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.27 -41.75 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.874 0.47 . . . . 25.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.97 92.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.412 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -10.15 57.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.513 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.1 ttm -80.16 151.88 29.51 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.845 -0.534 . . . . 25.0 111.535 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 865' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -74.27 140.17 76.09 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.743 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.85 94.88 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 125.261 3.974 . . . . 25.0 114.9 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 867' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.3 m-85 -93.56 120.35 33.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.966 0.888 . . . . 25.0 113.071 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -138.52 147.05 42.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.27 178.02 32.9 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 110.027 -1.229 . . . . 25.0 110.027 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.71 -21.53 14.49 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 123.394 2.729 . . . . 25.0 113.648 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -85.18 -23.81 28.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 66.5 m -90.97 174.93 7.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.832 -1.531 . . . . 25.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.63 160.19 62.03 Favored Pre-proline 0 CA--C 1.485 -1.537 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.52 134.85 39.95 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 114.777 -3.015 . . . . 25.0 108.376 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 81.75 43.54 8.29 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 120.335 -0.936 . . . . 25.0 111.958 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.92 140.37 47.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.8 mt -141.96 153.42 44.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.976 0.362 . . . . 25.0 111.976 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 878' ' ' ASP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 28.9 t0 -90.07 107.12 18.93 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.689 0.756 . . . . 25.0 110.349 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -68.0 -35.44 78.31 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.28 -1.327 . . . . 25.0 111.509 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -92.26 -20.82 20.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.1 t -109.54 20.49 18.11 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.03 0.443 . . . . 25.0 110.0 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 882' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 -48.16 156.59 0.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.051 1.501 . . . . 25.0 115.051 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 34.8 t -83.58 111.53 19.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.071 1.138 . . . . 25.0 114.071 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 7.8 t -72.59 -11.28 60.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.38 14.26 19.03 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.177 0.591 . . . . 25.0 109.574 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.1 -165.89 0.22 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.272 -0.876 . . . . 25.0 110.464 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.39 2.42 1.26 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.953 1.464 . . . . 25.0 114.953 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 87.63 -173.78 44.07 Favored Glycine 0 N--CA 1.455 -0.088 0 C-N-CA 120.961 -0.638 . . . . 25.0 113.001 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -109.26 -18.82 13.51 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 75.1 p -156.23 166.96 31.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -99.55 -0.49 40.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.895 0.478 . . . . 25.0 111.234 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.253 1.27 0 CA-C-O 116.886 -1.531 . . . . 25.0 109.441 -178.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 111.857 0.317 . . . . 25.0 111.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.04 145.17 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.959 0.885 . . . . 25.0 112.236 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . 0.462 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 31.0 t -90.73 158.07 17.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.889 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -26.63 68.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.578 174.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -81.93 -37.82 26.2 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.469 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 37.7 tp60 -60.56 -41.27 94.24 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.627 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.425 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.8 ptp -73.42 -21.12 60.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.749 -0.78 . . . . 25.0 109.184 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.29 -35.03 31.59 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.67 -0.412 . . . . 25.0 111.63 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.27 -34.45 23.81 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.387 -0.525 . . . . 25.0 109.86 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.1 t80 -72.79 -22.74 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.411 -0.806 . . . . 25.0 112.903 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -63.28 -20.17 65.23 Favored 'General case' 0 C--O 1.204 -1.341 0 O-C-N 121.147 -0.971 . . . . 25.0 109.056 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.91 -21.95 62.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.723 0.692 . . . . 25.0 109.966 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.0 t -63.92 -13.26 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.091 -0.381 . . . . 25.0 111.061 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -23.61 49.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 172.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -3.79 12.48 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.862 0.363 . . . . 25.0 111.249 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -69.71 -54.93 11.47 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.972 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.427 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.12 2.84 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.157 0.429 . . . . 25.0 112.157 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 15.1 t0 -54.88 104.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.868 0.842 . . . . 50.0 112.773 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.525 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -55.59 -36.24 66.67 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 113.986 -1.461 . . . . 25.0 112.568 -173.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -115.59 -3.51 12.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.438 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 61.47 31.96 18.93 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 64.7 p -69.58 -11.86 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.56 15.48 59.98 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 108.727 -1.749 . . . . 25.0 108.727 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.42 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.247 -0.976 . . . . 25.0 108.42 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -94.91 124.76 39.14 Favored 'General case' 0 C--O 1.197 -1.687 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.08 -163.58 30.66 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 109.66 -1.376 . . . . 25.0 109.66 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -62.6 -60.57 0.18 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 CA-C-N 120.642 2.221 . . . . 25.0 114.831 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -68.64 -19.05 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.422 1.106 . . . . 25.0 109.614 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.525 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 10.7 mt-10 -83.26 -46.71 12.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.528 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.3 t80 -60.23 -41.6 93.43 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 123.215 0.606 . . . . 25.0 111.263 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -23.78 66.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.751 -0.659 . . . . 25.0 109.905 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.02 23.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.1 t -62.99 -45.02 94.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.976 0.893 . . . . 25.0 109.329 176.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.97 -18.85 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 115.798 1.777 . . . . 25.0 115.798 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.84 -38.58 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.0 m -78.52 -4.99 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.501 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.9 -13.55 15.77 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 83.22 52.41 3.8 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 118.569 -1.777 . . . . 25.0 111.122 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.09 162.87 5.3 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 116.799 2.148 . . . . 25.0 116.799 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -91.69 12.74 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.871 0.868 . . . . 25.0 110.942 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 169.08 20.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.34 -171.15 18.37 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.263 -0.97 . . . . 25.0 111.209 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.63 55.13 3.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.613 0.72 . . . . 25.0 109.39 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.46 162.31 53.59 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.04 -14.58 26.16 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 117.741 -1.039 . . . . 25.0 114.169 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -87.0 -44.63 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.5 73.82 Favored Glycine 0 C--O 1.204 -1.775 0 C-N-CA 120.369 -0.919 . . . . 25.0 112.688 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.03 -25.88 66.49 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 118.493 1.146 . . . . 25.0 110.767 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.91 -39.35 51.18 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.48 -34.62 67.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.641 -0.709 . . . . 25.0 110.418 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.13 -31.32 69.92 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.967 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -40.54 94.02 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.0 -41.11 59.83 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -25.77 35.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.391 0.615 . . . . 25.0 110.98 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -78.66 -30.3 46.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 25.0 111.975 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.08 -23.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.826 -0.546 . . . . 25.0 111.92 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.552 HG23 HG22 ' A' ' 807' ' ' VAL . 32.5 m -92.59 23.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 122.324 1.059 . . . . 25.0 109.827 177.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -121.7 61.16 11.98 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.585 -1.188 . . . . 25.0 109.101 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.62 -8.02 22.51 Favored 'Trans proline' 0 C--N 1.35 0.642 0 N-CA-C 114.495 0.921 . . . . 25.0 114.495 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -2.8 19.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 56.46 41.43 28.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.899 0.88 . . . . 25.0 113.248 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.435 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.14 -7.88 16.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.625 -1.171 . . . . 25.0 110.799 177.234 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.96 23.56 63.63 Favored Glycine 0 N--CA 1.458 0.145 0 C-N-CA 121.117 -0.563 . . . . 25.0 113.645 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.435 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.27 154.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.552 HG22 HG23 ' A' ' 799' ' ' VAL . 48.6 t -93.7 125.66 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.304 0.573 . . . . 25.0 109.636 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.2 p -105.94 168.61 9.0 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.904 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.442 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -50.64 -44.17 57.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 177.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -74.01 -17.42 60.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.079 0.466 . . . . 25.0 110.157 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.45 -37.1 20.14 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.913 -0.585 . . . . 25.0 111.246 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.445 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 65.4 m-85 -59.41 -33.9 71.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.5 . . . . 25.0 111.828 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.425 HG21 ' HE2' ' A' ' 748' ' ' MET . 10.4 mm -62.65 -32.2 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 121.82 0.819 . . . . 25.0 110.231 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -49.97 -42.1 48.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.472 -1.24 . . . . 25.0 110.996 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.12 -43.58 28.5 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 120.819 -0.352 . . . . 25.0 111.046 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -31.43 43.36 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 42.6 t -77.79 -19.72 54.53 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.406 -1.434 . . . . 25.0 111.132 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -74.67 -21.47 59.39 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.931 -0.396 . . . . 25.0 109.931 177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.21 -19.07 2.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.703 1.201 . . . . 25.0 111.969 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.2 p -73.3 5.94 3.24 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -120.57 153.78 36.3 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.129 0.572 . . . . 25.0 110.532 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.05 151.63 42.5 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.432 1.271 . . . . 25.0 114.432 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.25 171.28 16.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.712 174.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -87.34 -35.47 18.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.967 0.889 . . . . 25.0 110.417 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.7 p -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.985 -1.007 . . . . 25.0 110.316 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -55.98 -22.24 25.61 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -36.3 76.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.906 0.86 . . . . 25.0 110.522 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -68.57 -41.96 78.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 25.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 826' ' ' ALA . 8.8 p -76.32 -33.68 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.175 -0.61 . . . . 25.0 109.37 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 93.1 mtp -66.23 -20.78 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.896 -0.503 . . . . 25.0 112.247 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.78 65.26 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 25.0 111.011 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 95.4 p -60.28 -26.56 66.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.705 0.631 . . . . 25.0 112.705 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.06 -26.53 68.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 118.206 0.457 . . . . 25.0 111.472 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.29 -35.59 68.75 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.626 -0.672 . . . . 25.0 109.916 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -71.95 -40.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -43.5 97.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.681 -0.691 . . . . 25.0 110.791 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.1 76.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.571 0.7 . . . . 25.0 109.871 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.11 -88.5 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -114.83 -18.59 11.29 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.461 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.1 ptmt -76.73 155.98 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.925 -0.398 . . . . 25.0 109.925 -172.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -90.09 0.24 57.25 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -144.05 160.31 41.1 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 104.92 -2.252 . . . . 25.0 104.92 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -113.88 149.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 105.733 -1.951 . . . . 25.0 105.733 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.4 p -88.6 154.91 19.94 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.56 -32.56 69.02 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -66.61 -32.93 74.57 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.993 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.98 -37.49 69.88 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.925 -0.484 . . . . 25.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.08 -37.95 84.88 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -82.46 32.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.823 -0.626 . . . . 25.0 110.84 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -124.81 -38.55 2.35 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 106.471 -1.678 . . . . 25.0 106.471 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.539 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -94.42 -20.45 19.7 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.28 -1.327 . . . . 25.0 108.613 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.539 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.4 mt -124.1 85.56 54.64 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -54.62 -33.17 78.23 Favored 'Trans proline' 0 CA--C 1.58 2.779 0 N-CA-C 118.491 2.458 . . . . 25.0 118.491 165.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 46.7 Cg_endo -81.62 -167.55 0.51 Allowed 'Trans proline' 0 C--N 1.364 1.355 0 N-CA-C 117.262 1.985 . . . . 25.0 117.262 -174.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.43 -23.01 22.84 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -58.92 -29.86 67.4 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.38 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 852' ' ' LEU . . . -64.47 -47.93 77.13 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.37 -0.832 . . . . 25.0 111.727 175.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.41 -34.78 72.9 Favored 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.298 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -50.54 72.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -63.13 -44.35 95.8 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.824 -0.171 . . . . 25.0 110.638 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.57 -41.42 87.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.793 0.33 . . . . 25.0 110.494 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.14 99.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -83.99 -12.65 54.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.813 0.301 . . . . 25.0 111.813 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.475 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.9 ttm -77.74 151.64 34.01 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.877 -0.514 . . . . 25.0 110.924 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.63 129.28 94.11 Favored Pre-proline 0 C--O 1.223 -0.312 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.153 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.43 87.13 1.26 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.397 2.065 . . . . 25.0 114.762 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 107.585 -1.265 . . . . 25.0 107.585 178.601 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.624 0 N-CA-C 114.881 0.712 . . . . 25.0 114.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.57 142.74 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -142.01 146.85 36.01 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 122.432 0.293 . . . . 25.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.32 109.17 18.8 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.488 -0.758 . . . . 25.0 111.411 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.96 -38.27 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.225 -0.898 . . . . 25.0 110.872 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.28 -29.04 19.48 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.692 0.997 . . . . 25.0 113.692 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -98.93 18.44 17.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.943 0.401 . . . . 25.0 110.715 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.475 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 10.9 p90 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 115.367 1.617 . . . . 25.0 115.367 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 CA--C 1.537 0.442 0 CA-C-O 121.949 0.88 . . . . 25.0 109.645 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.87 148.58 10.57 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 CA-C-O 122.018 0.913 . . . . 25.0 111.504 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.4 t -96.78 164.62 12.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.401 -0.818 . . . . 25.0 109.705 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -29.14 67.13 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -77.95 -39.63 42.0 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.414 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.6 tp60 -59.49 -41.42 89.81 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.337 0.398 . . . . 25.0 110.615 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.476 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.4 ptp -74.04 -21.16 60.06 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 119.956 -0.698 . . . . 25.0 109.192 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.35 -34.99 31.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.95 -0.3 . . . . 25.0 111.642 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -84.34 -35.43 23.25 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.495 -0.482 . . . . 25.0 109.826 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 73.5 t80 -72.88 -22.02 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.21 0.819 . . . . 25.0 113.21 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -62.92 -19.55 64.34 Favored 'General case' 0 C--O 1.201 -1.478 0 O-C-N 121.195 -0.94 . . . . 25.0 108.65 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.43 63.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.039 0.836 . . . . 25.0 110.283 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.6 t -63.75 -13.71 46.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.975 0.417 . . . . 25.0 110.935 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -23.7 47.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.001 1.111 . . . . 25.0 114.001 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -2.22 12.26 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 120.693 0.282 . . . . 25.0 111.517 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -56.97 6.9 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.696 0.284 . . . . 25.0 111.037 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.12 5.52 35.15 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 20.0 t0 -58.06 103.18 0.13 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.935 0.874 . . . . 50.0 111.158 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.537 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 27.2 mtt180 -60.07 -33.18 71.71 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 113.894 -1.503 . . . . 25.0 113.386 -172.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -115.56 -3.23 12.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.059 -0.519 . . . . 50.0 110.225 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.7 t60 61.04 33.29 19.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.465 1.283 . . . . 25.0 114.465 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 46.7 p -69.47 -11.09 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.35 0.66 . . . . 25.0 112.704 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.39 61.72 Favored Glycine 0 CA--C 1.51 -0.266 0 N-CA-C 108.342 -1.903 . . . . 25.0 108.342 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.5 p -154.32 136.41 14.72 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.032 -1.084 . . . . 25.0 108.583 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -93.36 126.27 38.4 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.09 -167.55 35.86 Favored Glycine 0 C--O 1.195 -2.32 0 N-CA-C 108.961 -1.655 . . . . 25.0 108.961 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.49 -60.62 0.21 Allowed 'Trans proline' 0 C--N 1.329 -0.497 0 CA-C-N 120.808 2.304 . . . . 25.0 113.933 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.48 -16.81 64.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.817 0.818 . . . . 25.0 110.644 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.537 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 15.6 mt-10 -87.06 -45.62 10.56 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.036 -0.529 . . . . 50.0 110.331 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.438 ' CG ' HG21 ' A' ' 807' ' ' VAL . 31.0 t80 -58.8 -39.44 81.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.713 0.805 . . . . 25.0 111.713 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -24.99 67.91 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.607 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -33.33 21.84 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.16 -44.83 94.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.195 0.998 . . . . 25.0 109.368 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.91 -18.88 61.78 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.202 1.927 . . . . 25.0 116.202 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.24 -37.88 79.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.833 -0.802 . . . . 25.0 108.833 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 32.1 m -72.64 -12.49 61.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.59 -18.98 17.08 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.484 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.59 52.49 3.34 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 118.79 -1.672 . . . . 25.0 109.892 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 163.48 3.19 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 116.42 2.008 . . . . 25.0 116.42 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -90.89 13.01 17.68 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.068 0.937 . . . . 25.0 111.018 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.21 174.91 10.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.26 -168.04 19.21 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.59 -1.404 . . . . 25.0 109.59 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 56.5 3.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.894 0.854 . . . . 25.0 109.743 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 14.6 t70 -126.5 145.0 51.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 63.1 Cg_endo -63.87 -21.21 69.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 121.426 1.417 . . . . 25.0 113.575 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -81.06 -41.68 22.22 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.42 -30.29 75.03 Favored Glycine 0 C--O 1.205 -1.7 0 C-N-CA 120.297 -0.954 . . . . 25.0 111.955 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.71 -28.17 68.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.117 0.958 . . . . 25.0 110.393 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.42 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.51 -34.75 70.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.475 0.655 . . . . 25.0 110.286 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . 0.402 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 174.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.02 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.806 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -59.89 -41.48 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 173.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 792' ' ' PHE . 11.1 mt -74.42 -39.95 48.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -26.69 37.42 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.553 0.692 . . . . 25.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 19.3 t -77.98 -29.42 49.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.089 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.5 pt -90.58 -23.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.072 0.396 . . . . 25.0 111.821 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.605 HG23 HG22 ' A' ' 807' ' ' VAL . 30.1 m -93.4 23.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.482 1.134 . . . . 25.0 109.347 177.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -124.83 60.27 25.93 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 114.34 -1.3 . . . . 25.0 107.863 169.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.1 -6.71 19.64 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 118.165 -0.756 . . . . 25.0 114.049 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -102.86 -0.54 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' A' ' 803' ' ' ARG . 0.0 OUTLIER 54.13 40.42 31.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.22 1.008 . . . . 25.0 113.695 178.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.466 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.61 -8.22 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.501 177.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.53 22.16 62.85 Favored Glycine 0 CA--C 1.517 0.159 0 C-N-CA 121.131 -0.557 . . . . 25.0 113.458 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.466 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.79 154.05 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.605 HG22 HG23 ' A' ' 799' ' ' VAL . 48.5 t -95.54 123.76 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.56 169.82 8.3 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.364 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.464 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.68 -43.32 47.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.188 1.181 . . . . 25.0 114.188 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -17.94 60.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.214 0.53 . . . . 25.0 110.532 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.58 -37.58 19.41 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.105 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.464 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 63.2 m-85 -59.24 -32.22 69.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 25.0 111.249 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.476 HG21 ' HE2' ' A' ' 748' ' ' MET . 11.1 mm -62.75 -32.69 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.916 0.865 . . . . 25.0 110.365 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.16 -39.82 57.18 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 114.588 -1.187 . . . . 25.0 111.207 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.39 -43.29 23.69 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 120.847 0.356 . . . . 25.0 110.828 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.75 37.51 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.127 1.529 . . . . 25.0 115.127 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.5 t -78.42 -19.75 52.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.248 -1.533 . . . . 25.0 111.38 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -75.06 -21.42 59.02 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.365 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.74 -22.44 1.39 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.346 1.458 . . . . 25.0 113.546 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.3 p -75.27 8.47 2.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -87.05 -127.77 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -154.65 150.0 27.19 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.73 170.18 21.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.041 1.497 . . . . 25.0 115.041 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -86.66 -37.07 18.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.184 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.5 p -64.16 -21.39 66.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.562 0.745 . . . . 25.0 110.158 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -54.95 -27.19 41.7 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.619 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.54 -36.9 74.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.796 0.807 . . . . 25.0 110.909 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -71.85 -43.0 66.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.802 -0.636 . . . . 25.0 111.926 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.7 p -74.23 -32.84 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.2 -0.6 . . . . 25.0 110.207 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.33 -19.03 65.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.897 -0.502 . . . . 25.0 111.953 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.62 65.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.91 -0.493 . . . . 25.0 110.605 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.9 m -64.94 -22.74 67.05 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -65.21 -22.94 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.85 -0.531 . . . . 25.0 110.932 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.04 -34.67 75.59 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.657 -0.652 . . . . 25.0 109.75 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.0 -38.99 44.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.307 -1.368 . . . . 25.0 107.307 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.33 90.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.448 -0.796 . . . . 25.0 110.354 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.63 78.16 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.722 0.772 . . . . 25.0 110.376 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 84.79 -99.13 2.27 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -114.97 -1.23 13.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.56 0.68 . . . . 25.0 112.384 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -87.74 155.5 19.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -90.49 0.67 57.23 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 113.913 1.079 . . . . 25.0 113.913 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -146.44 161.67 39.9 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 104.615 -2.365 . . . . 25.0 104.615 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 2.9 tp -114.08 148.62 16.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.117 -1.808 . . . . 25.0 106.117 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 55.7 p -87.59 154.83 20.3 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . 0.448 ' HG2' HD11 ' A' ' 877' ' ' LEU . 62.4 mtt -57.62 -34.99 69.89 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -63.87 -35.73 81.59 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.585 -0.734 . . . . 25.0 112.377 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.51 -36.9 79.51 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.136 -0.353 . . . . 25.0 110.587 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.36 -41.89 75.95 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 175.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -75.38 14.21 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -113.02 -34.29 5.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.95 -24.44 20.15 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 89.91 42.54 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.887 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.37 -34.69 81.74 Favored 'Trans proline' 0 CA--C 1.572 2.379 0 N-CA-C 117.613 2.12 . . . . 25.0 117.613 164.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 41.0 Cg_endo -82.47 -168.73 0.63 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 N-CA-C 116.552 1.712 . . . . 25.0 116.552 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.24 -16.61 22.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.787 -1.097 . . . . 25.0 112.845 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -58.83 -31.63 68.66 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.517 -0.739 . . . . 25.0 110.303 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.94 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.501 -0.48 . . . . 25.0 111.577 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.47 -32.37 62.55 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -49.76 72.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 172.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 94.8 m -64.36 -43.77 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.54 -42.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.222 0.534 . . . . 25.0 110.593 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.86 89.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.693 -0.685 . . . . 25.0 112.577 -174.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -16.12 34.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 7.7 ttm -72.67 157.37 37.67 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.713 -0.617 . . . . 25.0 110.124 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.53 131.05 86.65 Favored Pre-proline 0 C--O 1.221 -0.442 0 O-C-N 121.524 -0.735 . . . . 25.0 109.782 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.28 89.39 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.289 2.659 . . . . 25.0 113.433 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 179.066 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.611 0 CA-C-O 119.391 -0.672 . . . . 25.0 113.214 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.95 140.5 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 845' ' ' MET . 3.7 mt -141.92 149.56 40.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.197 -0.297 . . . . 25.0 110.197 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.07 110.97 21.62 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.767 -0.773 . . . . 25.0 111.136 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -67.5 -38.0 83.66 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.342 -0.844 . . . . 25.0 111.598 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.2 -25.73 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.0 t -104.14 19.42 20.16 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.674 0.273 . . . . 25.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 114.543 1.312 . . . . 25.0 114.543 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.855 0.836 . . . . 25.0 111.778 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -66.82 149.93 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.204 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.0 p -97.42 164.98 12.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -25.52 67.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.051 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.74 -36.3 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.709 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -61.44 -41.01 96.53 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.262 0.553 . . . . 25.0 110.22 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -73.63 -20.94 60.44 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -32.94 24.2 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.725 -0.39 . . . . 25.0 110.732 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -36.96 23.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 56.7 t80 -71.94 -24.24 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -62.36 -19.6 63.54 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.14 63.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.192 0.906 . . . . 25.0 110.638 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.3 t -64.09 -14.53 55.31 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.103 -0.373 . . . . 25.0 110.875 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -21.48 29.08 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 172.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -0.31 10.02 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.658 0.266 . . . . 25.0 111.586 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.6 -54.56 8.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.977 0.417 . . . . 25.0 111.021 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.422 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.9 m-85 -104.05 4.04 33.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.343 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.427 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 23.2 t0 -58.37 103.47 0.15 Allowed 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.777 0.799 . . . . 50.0 111.634 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.494 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 56.9 mtt180 -57.95 -32.12 67.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 114.353 -1.294 . . . . 25.0 113.674 -173.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -118.23 1.58 11.9 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.519 0.512 . . . . 75.0 111.197 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 54.82 34.31 21.68 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.1 p -69.48 -8.82 50.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.229 0.825 . . . . 25.0 113.229 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 15.51 65.26 Favored Glycine 0 CA--C 1.51 -0.258 0 N-CA-C 108.615 -1.794 . . . . 25.0 108.615 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -154.65 136.32 14.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.101 -1.05 . . . . 25.0 109.104 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.05 126.29 41.18 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.93 -168.22 39.15 Favored Glycine 0 C--O 1.195 -2.322 0 N-CA-C 108.913 -1.675 . . . . 25.0 108.913 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.76 -60.53 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.478 0 CA-C-N 121.082 2.441 . . . . 25.0 114.471 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -16.86 64.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.624 0.726 . . . . 25.0 110.355 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.494 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 14.8 mt-10 -85.74 -46.2 10.92 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.931 176.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.433 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.9 t80 -59.06 -40.1 84.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.071 0.949 . . . . 25.0 111.489 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.91 66.41 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.63 -34.31 21.41 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 50.1 t -61.71 -46.05 91.33 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.177 0.989 . . . . 25.0 109.697 176.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.09 -18.73 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 116.153 1.909 . . . . 25.0 116.153 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.87 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 44.4 m -76.33 -6.88 53.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.0 -14.25 16.55 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.26 47.13 6.23 Favored Glycine 0 C--O 1.219 -0.838 0 C-N-CA 118.65 -1.738 . . . . 25.0 110.302 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.32 160.29 1.17 Allowed 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 117.06 2.244 . . . . 25.0 117.06 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -93.31 20.92 6.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.712 0.768 . . . . 25.0 111.063 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.82 172.64 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 106.542 -1.651 . . . . 25.0 106.542 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 104.21 167.46 24.87 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 121.346 -0.454 . . . . 25.0 112.313 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 62.88 -6.03 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.89 158.8 61.46 Favored Pre-proline 0 C--N 1.317 -0.841 0 C-N-CA 123.304 0.642 . . . . 25.0 110.081 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.77 -20.18 17.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 N-CA-C 114.746 1.018 . . . . 25.0 114.746 -176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -76.55 -33.15 58.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.28 73.07 Favored Glycine 0 C--O 1.207 -1.563 0 C-N-CA 120.701 -0.762 . . . . 25.0 112.628 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.54 -25.15 65.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.433 1.117 . . . . 25.0 110.802 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.93 -36.68 80.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.962 . . . . 25.0 109.922 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -61.32 -41.77 97.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 175.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.21 74.58 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 25.0 111.426 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -41.53 99.53 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 792' ' ' PHE . 14.8 mt -68.03 -42.31 85.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -26.98 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.128 0.489 . . . . 25.0 111.466 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -79.42 -30.9 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.053 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -88.45 -23.55 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.598 -0.689 . . . . 25.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.573 HG23 HG22 ' A' ' 807' ' ' VAL . 29.6 m -91.93 24.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 122.122 0.963 . . . . 25.0 109.413 176.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -120.71 62.75 10.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.665 -1.152 . . . . 25.0 109.47 168.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -69.62 -1.86 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 N-CA-C 114.557 0.945 . . . . 25.0 114.557 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -113.32 -1.3 14.29 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.846 -0.534 . . . . 25.0 109.625 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 55.63 41.78 30.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.177 0.991 . . . . 25.0 112.851 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.472 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.4 -7.19 16.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.866 178.136 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.07 65.25 Favored Glycine 0 N--CA 1.459 0.2 0 C-N-CA 121.137 -0.554 . . . . 25.0 113.801 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.472 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.44 152.13 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 -179.253 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.573 HG22 HG23 ' A' ' 799' ' ' VAL . 47.3 t -90.31 125.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -176.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.5 p -106.09 166.86 10.2 Favored 'General case' 0 C--O 1.204 -1.316 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.833 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.48 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -51.04 -42.69 60.64 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.42 -17.1 60.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.134 0.492 . . . . 25.0 110.447 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.77 -36.48 17.28 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.539 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.48 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.94 -32.74 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 25.0 110.548 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.86 -32.78 53.11 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 115.224 -0.898 . . . . 25.0 110.998 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.86 -41.86 71.33 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.326 -0.852 . . . . 25.0 110.966 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.23 -39.76 59.69 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.52 0.676 . . . . 25.0 110.503 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.457 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -58.85 -28.71 66.34 Favored 'General case' 0 C--O 1.202 -1.442 0 O-C-N 121.525 -0.734 . . . . 25.0 112.802 178.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.0 t -84.88 -18.82 33.58 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.373 -1.455 . . . . 25.0 110.394 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -74.24 -19.86 60.37 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.03 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.05 -20.72 1.51 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.64 1.576 . . . . 25.0 114.22 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 60.6 p -70.42 1.97 4.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -108.55 132.06 54.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.607 0.363 . . . . 25.0 110.293 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.33 145.42 53.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.071 -0.513 . . . . 25.0 111.797 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.05 175.96 9.33 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -84.99 -37.84 19.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.59 0.709 . . . . 25.0 110.567 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 1.2 p -65.65 -18.45 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.932 0.893 . . . . 25.0 109.894 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.49 -20.21 59.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.597 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.54 -36.45 71.64 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.75 0.786 . . . . 25.0 110.661 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.05 -41.18 77.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.607 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 826' ' ' ALA . 14.9 p -82.13 -33.37 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.388 -0.525 . . . . 25.0 110.295 -175.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 77.5 mtm -69.21 -16.69 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.818 -0.552 . . . . 25.0 110.784 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.47 66.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 835' ' ' ILE . 10.5 m -63.79 -22.04 66.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 178.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.14 -26.55 68.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.783 -0.573 . . . . 25.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.05 63.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 832' ' ' SER . 2.8 mp -68.19 -42.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.459 ' HB3' HD11 ' A' ' 843' ' ' ILE . 11.5 mt -62.66 -47.39 83.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 25.0 110.365 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.36 96.6 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.126 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.47 -83.47 1.33 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.077 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -111.48 -27.62 8.52 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 120.922 -1.34 . . . . 25.0 113.644 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 6.2 pttm -80.81 160.73 24.75 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.149 1.452 . . . . 25.0 109.683 -164.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -86.19 2.77 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 113.524 -1.671 . . . . 25.0 115.069 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -146.32 166.86 25.05 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 105.05 -2.204 . . . . 25.0 105.05 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 836' ' ' LEU . 5.4 tp -119.3 148.6 22.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 80.7 p -85.81 151.06 24.11 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -55.82 -32.41 63.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 25.0 110.451 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.57 -27.23 65.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.84 -36.87 64.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.743 0.306 . . . . 25.0 110.762 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.58 -38.02 83.46 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -76.31 10.61 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.292 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -105.9 -37.79 6.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -89.39 -29.49 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.682 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.54 91.16 33.05 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.68 -34.01 89.18 Favored 'Trans proline' 0 CA--C 1.575 2.534 0 N-CA-C 118.067 2.295 . . . . 25.0 118.067 164.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.26 -167.72 0.52 Allowed 'Trans proline' 0 C--N 1.364 1.375 0 N-CA-C 117.185 1.956 . . . . 25.0 117.185 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -50.19 -26.97 5.16 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.103 -1.408 . . . . 25.0 114.0 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.61 -31.53 64.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.457 -0.777 . . . . 25.0 112.37 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.47 -48.41 75.33 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 120.271 -0.571 . . . . 25.0 111.05 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -74.75 -31.34 61.77 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.873 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -51.61 65.63 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 170.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.11 -43.99 93.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.441 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.7 mt -58.77 -41.52 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.907 0.384 . . . . 25.0 110.492 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.52 93.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.632 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -82.3 -20.33 37.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.786 0.326 . . . . 25.0 111.531 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.539 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.1 ttm -74.22 152.05 39.83 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.513 0.56 . . . . 25.0 112.513 -175.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -68.06 131.57 92.2 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 120.276 -0.569 . . . . 25.0 110.441 -173.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.9 88.93 0.89 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.434 3.423 . . . . 25.0 114.813 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.875 0.845 . . . . 25.0 109.665 178.569 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.47 0 CA-C-O 119.43 -0.65 . . . . 25.0 111.816 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.76 140.14 47.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -141.92 149.14 39.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.784 -0.189 . . . . 25.0 110.684 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.07 108.81 18.44 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.105 -0.638 . . . . 25.0 111.59 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -65.97 -33.29 75.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.036 -0.984 . . . . 25.0 112.574 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -95.78 -24.68 16.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.5 t -100.14 14.41 30.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.198 0.523 . . . . 25.0 110.269 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.539 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 121.67 0.747 . . . . 25.0 110.752 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.3 OUTLIER -70.82 148.81 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.592 0.711 . . . . 25.0 111.554 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.9 t -92.91 159.18 15.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.79 -30.04 71.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 25.0 110.105 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.99 -36.42 36.01 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.495 -0.482 . . . . 25.0 109.893 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -61.34 -40.92 96.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 25.0 111.175 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.5 ptp -74.78 -21.01 59.56 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.99 -39.77 33.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.172 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.46 -36.69 52.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.844 -0.743 . . . . 25.0 109.305 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 61.2 t80 -73.32 -22.34 60.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -19.62 65.11 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.271 -0.893 . . . . 25.0 108.895 175.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.6 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 118.87 0.759 . . . . 25.0 110.555 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.1 t -64.62 -13.87 55.48 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.754 0.311 . . . . 25.0 110.688 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -21.5 44.3 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.976 1.102 . . . . 25.0 113.976 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 5.19 9.29 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 120.879 0.371 . . . . 25.0 111.105 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -77.15 -53.02 8.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.712 0.291 . . . . 25.0 111.521 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -104.07 3.67 33.48 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.468 -0.333 . . . . 25.0 111.896 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 17.4 t0 -56.02 104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.152 0.977 . . . . 50.0 112.784 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.434 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -54.41 -32.04 56.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.101 -1.409 . . . . 25.0 113.129 -173.564 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -122.19 1.11 9.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.752 -0.658 . . . . 75.0 111.857 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 79.1 m80 54.46 35.23 22.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 p -71.65 -9.44 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.577 0.751 . . . . 25.0 112.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.18 14.55 64.06 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.74 136.39 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.333 -0.933 . . . . 25.0 108.889 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -95.02 126.77 40.59 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.51 -166.52 38.74 Favored Glycine 0 C--O 1.198 -2.115 0 N-CA-C 109.194 -1.562 . . . . 25.0 109.194 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.26 -60.38 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 120.709 2.254 . . . . 25.0 114.223 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -14.53 63.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.807 0.813 . . . . 25.0 110.889 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.434 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 14.5 mt-10 -88.71 -44.76 10.34 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.469 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' A' ' 807' ' ' VAL . 30.5 t80 -59.49 -38.84 81.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.604 0.762 . . . . 25.0 111.565 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -22.9 67.08 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.334 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.61 20.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 121.111 0.481 . . . . 25.0 109.762 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.54 -44.15 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.161 0.981 . . . . 25.0 109.918 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 25.5 mt -63.69 -18.86 64.43 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 116.005 1.854 . . . . 25.0 116.005 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.4 -39.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.1 m -76.63 -5.91 49.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.778 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.41 -13.86 15.51 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 123.332 0.395 . . . . 25.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 84.35 51.54 3.88 Favored Glycine 0 C--O 1.225 -0.459 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.278 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.97 160.89 16.83 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 117.26 2.319 . . . . 25.0 117.26 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.51 11.37 24.29 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.775 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.13 -177.73 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.744 -174.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 102.23 133.32 8.01 Favored Glycine 0 C--O 1.222 -0.653 0 CA-C-N 116.02 -0.536 . . . . 25.0 114.249 170.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 61.16 13.49 4.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -123.91 143.95 43.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.95 -25.45 74.1 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 120.952 1.102 . . . . 25.0 113.977 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -87.25 -47.08 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.34 -33.9 87.62 Favored Glycine 0 C--O 1.206 -1.633 0 N-CA-C 115.011 0.764 . . . . 25.0 115.011 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.58 -23.95 66.27 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 118.97 1.385 . . . . 25.0 110.715 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.29 -38.34 30.96 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.64 -32.88 68.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.793 -0.64 . . . . 25.0 110.434 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -44.54 83.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.95 70.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.861 -0.335 . . . . 25.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.1 -38.63 91.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.11 -41.2 67.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.998 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -24.92 47.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 25.0 111.146 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.2 t -78.25 -28.47 47.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 25.0 112.169 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.1 pt -91.77 -23.56 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.756 -0.59 . . . . 25.0 112.163 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.459 HG23 HG22 ' A' ' 807' ' ' VAL . 33.3 m -92.19 24.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 122.174 0.988 . . . . 25.0 109.825 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -122.69 62.49 17.81 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.355 171.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.0 -9.81 26.89 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.647 0.98 . . . . 25.0 114.647 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -109.46 -1.33 18.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.678 0.275 . . . . 25.0 110.403 -175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 56.58 41.06 29.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.66 0.784 . . . . 25.0 112.638 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.47 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.71 -8.48 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.756 -1.111 . . . . 25.0 110.325 177.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.79 22.75 65.78 Favored Glycine 0 C--O 1.234 0.118 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.83 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -140.9 151.93 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.459 HG22 HG23 ' A' ' 799' ' ' VAL . 41.1 t -90.56 125.18 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 2.0 p -106.67 167.65 9.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.586 -0.733 . . . . 25.0 111.735 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.471 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -50.62 -43.08 56.83 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 177.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.05 -16.09 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 25.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -88.57 -36.14 16.51 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.262 0.553 . . . . 25.0 111.667 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.471 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 62.6 m-85 -59.24 -31.91 69.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.538 0.685 . . . . 25.0 110.59 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.6 mm -62.01 -31.96 52.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.388 -0.824 . . . . 25.0 110.657 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -54.43 -37.05 64.67 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.126 -0.943 . . . . 25.0 111.193 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.67 -41.85 23.04 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-O 120.737 0.303 . . . . 25.0 110.929 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.412 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.13 -30.18 59.25 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 2.1 t -79.15 -16.85 56.03 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.73 -1.231 . . . . 25.0 111.928 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -76.64 -21.45 55.45 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 116.224 -0.444 . . . . 25.0 110.384 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -52.06 -21.4 3.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.905 1.282 . . . . 25.0 113.055 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 75.9 p -70.26 -3.19 15.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.58 152.65 23.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.08 142.83 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.064 -0.516 . . . . 25.0 112.11 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.86 159.17 42.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 111.602 0.223 . . . . 25.0 111.602 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.61 -48.1 67.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.177 0.989 . . . . 25.0 110.602 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.3 p -65.59 -15.56 62.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.935 -1.029 . . . . 25.0 112.3 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -63.33 -21.01 66.0 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.59 -37.14 70.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.813 0.816 . . . . 25.0 110.683 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -68.57 -41.18 80.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.202 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 826' ' ' ALA . 14.2 p -81.13 -32.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.535 -0.466 . . . . 25.0 109.833 -174.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.5 mtm -70.25 -12.38 61.55 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.919 -0.488 . . . . 25.0 111.625 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.78 -22.5 62.24 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.043 -0.41 . . . . 25.0 110.04 173.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.7 p -59.8 -25.99 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -62.54 -26.7 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.394 0.543 . . . . 25.0 111.349 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -71.1 -33.91 70.6 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.593 -0.692 . . . . 25.0 109.754 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.76 -38.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.87 95.66 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.204 0.525 . . . . 25.0 110.089 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.27 85.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.071 0.938 . . . . 25.0 109.386 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.74 -83.64 1.35 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.562 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -114.98 -27.68 7.28 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.9 ptmt -69.68 151.07 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.016 0.436 . . . . 25.0 110.595 -172.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -84.96 1.09 48.96 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -147.47 161.13 41.7 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -113.06 149.88 15.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 105.841 -1.911 . . . . 25.0 105.841 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.5 p -90.05 154.43 19.81 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.02 -32.99 68.48 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 121.459 0.647 . . . . 25.0 109.416 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.14 -31.03 71.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 25.0 112.587 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.94 -38.31 64.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.099 -0.376 . . . . 25.0 110.587 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.87 -40.24 91.46 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.3 mtp-105 -76.26 16.16 0.49 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -118.39 -38.23 3.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -83.26 -26.63 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.58 91.45 41.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 122.65 0.38 . . . . 25.0 110.06 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -54.66 -33.54 80.06 Favored 'Trans proline' 0 CA--C 1.571 2.328 0 N-CA-C 117.518 2.084 . . . . 25.0 117.518 165.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -83.08 -169.85 0.8 Allowed 'Trans proline' 0 C--N 1.364 1.382 0 N-CA-C 117.222 1.97 . . . . 25.0 117.222 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.35 -23.46 3.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 113.863 -1.517 . . . . 25.0 113.645 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.96 -31.16 64.71 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.589 -0.694 . . . . 25.0 112.124 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.3 -48.16 82.64 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.244 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.52 -31.41 57.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -49.27 73.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 170.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.89 -42.65 90.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.451 -0.34 . . . . 25.0 110.917 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.9 mt -58.55 -41.6 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.051 0.453 . . . . 25.0 110.034 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.6 87.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.936 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -83.77 -15.22 49.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.92 0.391 . . . . 25.0 111.327 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.567 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.4 ttm -79.81 154.6 28.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.053 0.76 . . . . 25.0 113.053 -177.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.74 131.56 85.87 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.501 -0.479 . . . . 25.0 110.869 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.13 90.5 0.76 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 124.491 3.461 . . . . 25.0 114.477 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 . . . . . 0 C--N 1.321 -0.664 0 CA-C-O 121.61 0.719 . . . . 25.0 112.277 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.419 0 N-CA-C 110.142 -1.183 . . . . 25.0 110.142 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 140.57 47.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.02 149.97 40.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.706 -0.224 . . . . 25.0 111.01 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.65 110.49 21.37 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.025 -0.67 . . . . 25.0 111.525 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.42 -30.42 68.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.1 -0.954 . . . . 25.0 112.225 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -98.22 -20.17 17.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.7 t -105.36 16.76 25.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 1.7 p90 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 111.749 0.277 . . . . 25.0 111.749 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 142.27 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.662 0.744 . . . . 25.0 109.507 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . 0.582 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 29.2 t -89.81 157.92 17.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -24.42 67.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.747 -0.66 . . . . 25.0 109.46 173.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.32 -35.7 23.09 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.455 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 43.6 tp60 -62.87 -42.33 99.72 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 120.735 -0.386 . . . . 25.0 110.101 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.455 ' HE2' HG21 ' A' ' 813' ' ' ILE . 7.0 ptp -72.59 -21.07 61.19 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -40.51 35.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.7 -0.4 . . . . 25.0 110.88 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -78.96 -34.87 43.93 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.695 -0.802 . . . . 25.0 109.584 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -73.68 -21.7 60.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.487 -0.758 . . . . 25.0 112.585 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.15 -20.17 65.81 Favored 'General case' 0 C--O 1.203 -1.351 0 O-C-N 121.253 -0.905 . . . . 25.0 108.7 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.69 -21.3 62.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.832 0.742 . . . . 25.0 110.074 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -63.97 -14.24 52.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.78 0.324 . . . . 25.0 110.948 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -23.6 39.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.029 1.122 . . . . 25.0 114.029 171.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.19 -1.01 10.93 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -70.34 -56.34 6.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.071 0.463 . . . . 25.0 111.223 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.0 4.1 34.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 25.0 111.497 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 20.8 t0 -56.48 104.53 0.15 Allowed 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 122.303 1.049 . . . . 50.0 112.665 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.417 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 38.8 ttp180 -50.97 -40.4 57.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.064 -1.88 . . . . 25.0 113.133 -176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.39 5.91 11.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.752 -0.658 . . . . 50.0 110.893 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 6.0 t60 57.78 34.62 24.64 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.878 0.847 . . . . 25.0 112.215 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.1 p -75.59 -8.5 56.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.311 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.35 13.92 67.24 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 108.913 -1.675 . . . . 25.0 108.913 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.6 p -154.5 136.35 14.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.022 -1.089 . . . . 25.0 108.221 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -94.45 127.11 40.15 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -79.31 -168.58 36.01 Favored Glycine 0 C--O 1.198 -2.136 0 N-CA-C 109.533 -1.427 . . . . 25.0 109.533 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.91 -57.63 0.5 Allowed 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-N 120.609 2.204 . . . . 25.0 113.663 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.14 -18.71 64.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.748 0.785 . . . . 25.0 110.493 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.417 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.3 mt-10 -88.3 -43.95 11.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.489 -0.778 . . . . 50.0 110.268 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.3 t80 -59.57 -40.5 87.56 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.269 0.628 . . . . 25.0 110.959 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -23.34 66.22 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.901 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.6 -33.7 21.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.59 -45.38 93.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.68 0.752 . . . . 25.0 109.48 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.36 -18.75 60.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 116.087 1.884 . . . . 25.0 116.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.85 -37.32 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.405 -0.961 . . . . 25.0 108.405 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 22.6 t -73.91 -6.92 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.496 -0.775 . . . . 25.0 112.224 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.15 -12.03 14.86 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.042 0.214 . . . . 25.0 110.975 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.5 43.14 8.67 Favored Glycine 0 C--O 1.221 -0.661 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.413 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.9 164.99 0.22 Allowed 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 118.401 2.741 . . . . 25.0 118.401 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -91.71 12.65 20.55 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.519 0.676 . . . . 25.0 111.593 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.14 168.63 23.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.515 -0.766 . . . . 25.0 110.431 -177.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.23 -164.4 11.83 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 109.898 -1.281 . . . . 25.0 109.898 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -87.75 15.09 7.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.39 165.23 45.67 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.94 -14.47 23.84 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.007 -2.196 . . . . 25.0 114.198 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -86.9 -46.6 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.07 -33.43 85.4 Favored Glycine 0 C--O 1.208 -1.484 0 C-N-CA 120.467 -0.873 . . . . 25.0 114.057 -175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -66.38 -26.27 67.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 118.555 1.177 . . . . 25.0 110.7 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.98 -40.23 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.499 -0.75 . . . . 25.0 109.161 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.28 -34.77 70.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.665 -0.698 . . . . 25.0 110.157 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -43.56 87.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.576 -0.449 . . . . 25.0 111.877 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -62.61 -40.23 96.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.232 -0.655 . . . . 25.0 109.232 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.99 -41.31 68.41 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -26.96 42.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.54 0.686 . . . . 25.0 110.646 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.8 t -77.3 -30.54 54.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.948 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.6 pt -90.66 -23.57 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.919 -0.488 . . . . 25.0 112.306 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.515 HG23 HG22 ' A' ' 807' ' ' VAL . 32.8 m -92.32 24.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 122.306 1.05 . . . . 25.0 109.922 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -121.56 61.14 11.46 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 114.648 -1.16 . . . . 25.0 109.305 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.51 -7.58 21.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 114.565 0.948 . . . . 25.0 114.565 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -107.51 -2.46 20.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 55.79 41.73 29.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.925 0.89 . . . . 25.0 113.305 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.445 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.97 -7.55 16.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.087 177.426 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.19 22.48 65.35 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.105 -0.569 . . . . 25.0 113.781 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.445 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.07 153.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 -179.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.515 HG22 HG23 ' A' ' 799' ' ' VAL . 47.7 t -94.29 125.56 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.3 p -105.56 167.73 9.56 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.631 -0.713 . . . . 25.0 111.814 -176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.455 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.2 -42.82 61.15 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 178.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.71 -16.95 60.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 25.0 110.556 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.33 -36.93 18.97 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 121.215 0.531 . . . . 25.0 111.366 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.455 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.7 m-85 -59.19 -34.24 71.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.441 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.455 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.9 mm -62.35 -31.65 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 CA-C-O 121.546 0.688 . . . . 25.0 110.371 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -49.43 -47.5 48.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.881 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -73.0 -42.35 63.36 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.812 0.339 . . . . 25.0 110.91 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -29.65 51.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -81.24 -19.75 42.48 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.634 -1.291 . . . . 25.0 110.762 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -73.27 -21.52 60.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.97 -17.27 2.41 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.957 1.303 . . . . 25.0 113.106 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.6 p -75.05 -0.94 20.62 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.67 146.65 30.51 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.567 0.347 . . . . 25.0 110.98 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.97 143.66 57.8 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.44 171.47 16.01 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.15 -37.35 22.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.408 0.623 . . . . 25.0 110.774 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -21.59 64.39 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.074 0.549 . . . . 25.0 110.382 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -65.9 -20.36 66.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.175 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.94 -34.88 73.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.826 0.822 . . . . 25.0 109.976 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.17 -40.99 86.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.807 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.52 -35.67 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 -175.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 39.6 ttp -69.71 -15.12 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 25.0 111.606 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.29 -19.4 8.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.593 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 94.7 p -52.04 -27.76 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -22.75 67.07 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.554 1.07 . . . . 25.0 112.856 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -36.67 43.65 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.42 -42.84 84.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.09 -45.07 95.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.99 81.88 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.758 0.789 . . . . 25.0 109.018 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.93 -98.02 1.8 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -173.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -124.37 2.5 8.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -69.41 151.08 46.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -80.19 1.4 28.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -151.03 160.49 43.89 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -110.4 149.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 61.3 p -87.99 150.68 23.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 105.528 -2.027 . . . . 25.0 105.528 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -54.96 -35.34 64.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.533 0.683 . . . . 25.0 109.693 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -71.83 -22.38 61.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.43 -37.02 77.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.963 -0.46 . . . . 25.0 109.821 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.77 -37.96 67.47 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -80.57 33.35 0.31 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.328 0.651 . . . . 25.0 110.586 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -121.46 -37.08 2.96 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 105.582 -2.007 . . . . 25.0 105.582 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.512 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 25.7 pt-20 -103.39 -17.77 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 113.948 -1.478 . . . . 25.0 108.762 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.512 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.1 mt -124.6 84.96 56.9 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.876 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -63.09 -22.22 73.18 Favored 'Trans proline' 0 CA--C 1.583 2.95 0 C-N-CA 114.144 -3.437 . . . . 25.0 118.466 164.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.582 ' HB3' ' H ' ' A' ' 744' ' ' SER . 35.0 Cg_endo -82.91 -166.42 0.38 Allowed 'Trans proline' 0 C--N 1.366 1.487 0 N-CA-C 116.802 1.808 . . . . 25.0 116.802 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.74 -32.22 13.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.182 -1.372 . . . . 25.0 114.659 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -55.34 -30.97 61.29 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.713 -0.221 . . . . 25.0 111.471 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 852' ' ' LEU . . . -66.45 -51.33 58.02 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.39 -0.819 . . . . 25.0 111.554 174.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.92 -34.84 77.4 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.499 -0.48 . . . . 25.0 110.944 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -51.99 66.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.585 174.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.5 m -62.75 -44.11 97.06 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-O 120.489 0.185 . . . . 25.0 110.821 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 32.1 mt -61.4 -41.7 90.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 122.804 0.442 . . . . 25.0 111.142 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.96 -41.45 86.86 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.901 -0.59 . . . . 25.0 111.356 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -10.18 58.92 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.607 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 0.3 OUTLIER -74.31 153.31 39.4 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.642 -0.661 . . . . 25.0 112.535 -178.423 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.686 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -72.52 137.32 80.7 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.028 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.99 91.77 1.17 Allowed 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 124.81 3.673 . . . . 25.0 115.328 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.496 0.665 . . . . 25.0 109.702 177.674 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 119.231 -0.76 . . . . 25.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.85 138.35 49.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.95 152.56 43.61 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.721 0.267 . . . . 25.0 111.721 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.686 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 26.7 t0 -89.11 107.72 19.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.42 0.628 . . . . 25.0 110.243 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.8 -32.89 70.12 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.926 -1.034 . . . . 25.0 112.0 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -91.45 -26.55 18.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -103.09 17.22 24.59 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.183 0.516 . . . . 25.0 110.499 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.517 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.4 p90 . . . . . 0 C--N 1.324 -0.522 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 117.712 2.486 . . . . 25.0 117.712 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.34 147.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 121.269 -0.894 . . . . 25.0 110.893 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 76.6 p -97.35 164.65 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.223 0.535 . . . . 25.0 109.867 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -27.37 68.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.144 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.15 -34.92 23.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.827 -0.349 . . . . 25.0 110.298 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.68 -41.08 94.37 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.67 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.427 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.1 ptp -73.17 -21.18 60.74 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.084 -0.646 . . . . 25.0 109.273 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -30.21 24.81 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.629 -0.428 . . . . 25.0 111.579 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.0 -38.11 23.07 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.571 -0.851 . . . . 25.0 108.956 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 66.9 t80 -72.42 -22.42 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -19.56 63.49 Favored 'General case' 0 C--O 1.197 -1.673 0 O-C-N 121.361 -0.837 . . . . 25.0 109.248 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.79 63.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.361 0.982 . . . . 25.0 110.719 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -13.7 57.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.925 -0.485 . . . . 25.0 110.613 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -23.62 50.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -111.25 -14.93 13.74 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.934 0.346 . . . . 25.0 111.934 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -67.49 -49.25 64.37 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.507 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 11.3 m-85 -104.13 1.2 30.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.529 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 18.3 t0 -56.17 104.46 0.14 Allowed 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.525 1.155 . . . . 50.0 112.269 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 29.7 ttp180 -51.33 -42.37 61.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.483 -1.69 . . . . 25.0 112.242 -175.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.59 5.69 11.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.153 -0.931 . . . . 50.0 111.254 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 67.9 m80 56.0 34.37 23.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.0 p -70.75 -10.82 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.06 15.35 62.88 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 108.159 -1.976 . . . . 25.0 108.159 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.58 136.4 14.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.004 -1.098 . . . . 25.0 108.292 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -93.8 127.45 39.55 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.427 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.35 -168.48 33.26 Favored Glycine 0 C--O 1.203 -1.81 0 N-CA-C 109.793 -1.323 . . . . 25.0 109.793 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -62.94 -55.78 0.73 Allowed 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 120.31 2.055 . . . . 25.0 113.964 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.61 -16.83 61.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 25.0 110.331 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.433 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.7 mt-10 -86.39 -45.06 11.53 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.587 -0.733 . . . . 50.0 110.085 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.46 ' CG ' HG21 ' A' ' 807' ' ' VAL . 26.9 t80 -58.82 -41.78 87.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 123.365 0.666 . . . . 25.0 111.041 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -24.13 67.44 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.63 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.38 23.98 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.39 -46.36 88.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.032 0.92 . . . . 25.0 109.501 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 20.3 mt -59.97 -18.87 48.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 -178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.14 -38.42 80.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -74.24 -8.82 57.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.615 . . . . 25.0 112.32 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.52 -17.35 15.23 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.125 0.266 . . . . 25.0 110.353 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.34 53.0 3.06 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 118.895 -1.621 . . . . 25.0 110.505 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.401 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -61.75 164.67 5.94 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 116.752 2.131 . . . . 25.0 116.752 178.457 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -92.94 12.29 24.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.536 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.51 169.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.139 -177.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.34 -170.67 16.47 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.152 -1.979 . . . . 25.0 108.152 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 24.16 2.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.589 0.694 . . . . 25.0 110.461 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.48 166.92 25.23 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.78 -14.49 24.25 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 115.501 -2.532 . . . . 25.0 113.966 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -87.09 -46.08 10.12 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.74 92.5 Favored Glycine 0 C--O 1.207 -1.535 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.352 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.89 -25.48 66.41 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.116 0.958 . . . . 25.0 110.748 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.35 31.24 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.412 -0.805 . . . . 25.0 109.087 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -62.3 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 175.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.13 71.55 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.922 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -61.46 -43.53 98.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.5 mt -69.99 -41.51 79.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 108.898 -0.778 . . . . 25.0 108.898 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -27.78 36.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 25.0 110.74 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 10.2 t -78.2 -29.79 48.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.025 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.1 pt -90.19 -23.42 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 122.027 -0.421 . . . . 25.0 111.698 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.548 HG23 HG22 ' A' ' 807' ' ' VAL . 29.4 m -92.8 23.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 122.279 1.037 . . . . 25.0 109.672 177.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -122.6 57.95 10.21 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 114.44 -1.255 . . . . 25.0 108.83 170.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.93 -5.59 17.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 117.367 -1.288 . . . . 25.0 114.39 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.28 -3.15 24.62 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 56.18 41.57 29.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.984 0.914 . . . . 25.0 113.274 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.03 -8.4 16.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.598 -1.183 . . . . 25.0 110.659 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.2 23.13 63.95 Favored Glycine 0 N--CA 1.458 0.151 0 C-N-CA 121.185 -0.531 . . . . 25.0 113.845 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.414 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.34 154.92 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -178.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 799' ' ' VAL . 47.2 t -96.27 124.15 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.862 -0.422 . . . . 25.0 109.862 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.96 169.37 8.59 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.471 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.61 -43.57 46.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 179.27 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.08 -16.94 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.194 0.521 . . . . 25.0 110.684 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.07 -37.57 17.31 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.617 -0.719 . . . . 25.0 111.31 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.457 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 63.2 m-85 -58.96 -33.21 70.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.601 . . . . 25.0 111.454 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.427 HG21 ' HE2' ' A' ' 748' ' ' MET . 10.3 mm -62.08 -31.99 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.808 0.813 . . . . 25.0 110.466 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -51.11 -43.7 61.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.836 -1.075 . . . . 25.0 110.997 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.78 -43.66 45.31 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.868 0.366 . . . . 25.0 110.614 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.8 -30.83 46.66 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 13.9 t -78.35 -19.74 52.8 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.313 -1.492 . . . . 25.0 111.108 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.93 -21.45 51.08 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.47 -10.43 0.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.463 1.505 . . . . 25.0 113.399 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.9 p -73.99 -3.36 28.73 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.784 -0.573 . . . . 25.0 112.118 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -107.27 159.04 16.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.136 0.574 . . . . 25.0 110.823 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.12 152.23 39.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.991 -0.55 . . . . 25.0 111.308 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 164.25 30.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.49 -46.99 71.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.484 1.135 . . . . 25.0 110.094 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 12.4 p -64.16 -18.45 64.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.368 -1.287 . . . . 25.0 112.614 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.419 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.66 -20.53 48.93 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -175.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.72 -37.09 70.46 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.847 0.832 . . . . 25.0 110.293 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.92 -40.87 78.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.135 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.0 p -78.78 -30.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.234 -0.586 . . . . 25.0 109.784 -175.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 62.4 mtt -64.93 -18.15 64.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.808 -0.558 . . . . 25.0 111.774 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.7 63.6 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.876 -0.515 . . . . 25.0 110.919 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 98.4 p -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.31 -26.07 68.22 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.924 -0.485 . . . . 25.0 111.301 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.717 -0.615 . . . . 25.0 109.382 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.6 -40.13 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.17 96.97 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.674 -0.694 . . . . 25.0 111.534 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.36 71.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 25.0 109.577 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.03 -83.38 1.38 Allowed Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.048 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.01 -27.98 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.451 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 14.6 ptmt -71.92 152.23 42.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 25.0 110.744 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -82.48 -6.67 59.45 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.091 -0.504 . . . . 25.0 112.252 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.439 ' CD2' ' HB1' ' A' ' 876' ' ' ALA . 36.9 p90 -138.26 162.8 33.39 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -115.51 149.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 105.492 -2.04 . . . . 25.0 105.492 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.5 p -88.87 156.76 18.73 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.7 mtt -58.7 -32.33 69.06 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.87 -34.5 77.94 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.341 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -43.25 91.9 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.91 -39.26 90.41 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.71 8.08 3.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -109.57 -37.75 5.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -82.12 -29.16 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 89.28 47.25 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 122.597 0.359 . . . . 25.0 111.559 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -54.15 -35.44 82.33 Favored 'Trans proline' 0 CA--C 1.575 2.562 0 N-CA-C 117.453 2.059 . . . . 25.0 117.453 164.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.07 -169.94 0.9 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 N-CA-C 116.542 1.708 . . . . 25.0 116.542 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -59.75 -16.42 27.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -58.65 -26.21 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.746 -0.596 . . . . 25.0 109.97 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.94 -48.81 67.45 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.453 -0.78 . . . . 25.0 111.525 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.87 -32.98 70.14 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -52.62 63.42 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.528 -0.76 . . . . 25.0 109.0 172.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.39 -43.01 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.385 -0.126 . . . . 25.0 110.753 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 51.4 mt -58.22 -40.58 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.2 0.524 . . . . 25.0 110.406 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.42 63.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -110.43 -2.41 16.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.984 0.421 . . . . 25.0 109.993 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.504 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -86.44 155.07 20.7 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.119 -0.363 . . . . 25.0 111.596 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -77.91 142.17 64.55 Favored Pre-proline 0 C--O 1.22 -0.5 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.873 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.6 93.34 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.954 3.102 . . . . 25.0 114.777 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 . . . . . 0 C--N 1.321 -0.65 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 175.825 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.52 0 N-CA-C 110.719 -0.952 . . . . 25.0 110.719 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 842' ' ' TYR . . . -112.75 142.72 45.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -142.03 147.07 36.26 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.125 0.17 . . . . 25.0 110.779 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 28.0 t0 -85.71 108.02 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.294 0.568 . . . . 25.0 110.419 177.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.972 -1.013 . . . . 25.0 111.828 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.24 -29.01 19.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -102.89 20.32 17.68 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.152 0.501 . . . . 25.0 109.931 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.504 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.0 p90 . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.235 0.334 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.4 149.77 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.287 0.565 . . . . 25.0 110.807 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 59.7 p -97.45 168.22 10.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.964 0.411 . . . . 25.0 110.166 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -27.87 67.17 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.153 0.501 . . . . 25.0 109.898 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -80.8 -39.83 26.07 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.797 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.88 -40.43 92.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.5 -20.97 59.79 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -31.9 25.84 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.801 -0.36 . . . . 25.0 111.579 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.5 -37.48 21.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.78 -0.768 . . . . 25.0 109.24 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 49.9 t80 -71.76 -21.94 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -19.53 63.11 Favored 'General case' 0 C--O 1.2 -1.516 0 O-C-N 121.175 -0.953 . . . . 25.0 109.0 174.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.01 64.27 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.825 0.739 . . . . 25.0 110.803 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -15.85 58.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 25.0 111.009 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -23.64 43.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.449 1.277 . . . . 25.0 114.449 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -4.06 11.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.766 0.317 . . . . 25.0 111.427 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -69.66 -55.33 10.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.855 0.359 . . . . 25.0 111.834 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.402 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.6 m-85 -102.59 2.72 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.429 -0.35 . . . . 25.0 111.389 -177.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 21.4 t0 -56.11 104.43 0.14 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.136 0.969 . . . . 50.0 113.035 -177.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.473 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 43.8 ttp180 -49.09 -43.73 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.221 -1.809 . . . . 25.0 113.131 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.65 4.68 13.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.321 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 5.4 t60 58.3 34.5 24.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.018 0.913 . . . . 25.0 111.752 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.5 p -74.63 -7.69 54.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.77 . . . . 25.0 112.078 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.08 67.55 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 108.947 -1.661 . . . . 25.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -154.48 136.39 14.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.034 -1.083 . . . . 25.0 108.233 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -91.43 126.83 36.64 Favored 'General case' 0 C--O 1.202 -1.412 0 O-C-N 120.941 -1.099 . . . . 25.0 108.33 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.463 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.44 -169.06 34.62 Favored Glycine 0 C--O 1.199 -2.079 0 N-CA-C 110.188 -1.165 . . . . 25.0 110.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -62.32 -57.52 0.47 Allowed 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 120.359 2.08 . . . . 25.0 113.751 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.52 -17.39 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.632 0.73 . . . . 25.0 110.091 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.473 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 9.7 mt-10 -87.93 -44.8 10.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.777 -0.647 . . . . 50.0 110.399 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.464 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.4 t80 -60.04 -39.74 86.96 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.329 0.652 . . . . 25.0 110.904 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -23.93 66.75 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.857 -0.611 . . . . 25.0 110.056 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -35.16 21.33 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.985 0.898 . . . . 25.0 109.248 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.04 -18.7 59.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.885 1.809 . . . . 25.0 115.885 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.42 -40.76 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.2 m -79.28 -5.78 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.698 -0.683 . . . . 25.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.427 HD12 ' CE ' ' A' ' 816' ' ' MET . 4.1 mm? -104.37 -1.0 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.271 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.94 31.31 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 118.923 -1.608 . . . . 25.0 112.648 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -57.34 164.34 1.87 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 121.537 3.903 . . . . 25.0 121.537 -175.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . 0.586 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.2 t70 -76.48 -0.01 21.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.08 2.552 . . . . 25.0 111.617 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.77 177.47 5.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.194 -171.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.58 -172.65 24.13 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 104.897 -3.281 . . . . 25.0 104.897 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.56 19.91 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.342 1.071 . . . . 25.0 111.094 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -68.52 149.03 98.13 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.77 -25.87 81.95 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 N-CA-C 113.615 0.583 . . . . 25.0 113.615 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -81.89 -43.16 18.54 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.276 -1.009 . . . . 25.0 108.276 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.63 87.76 Favored Glycine 0 C--O 1.207 -1.578 0 C-N-CA 120.829 -0.701 . . . . 25.0 113.68 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.99 -25.18 64.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.497 1.148 . . . . 25.0 110.636 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -73.96 -31.24 62.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 25.0 110.506 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -42.11 97.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 172.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.16 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -58.24 -37.43 74.89 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.2 -41.77 23.13 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 O-C-N 122.056 -0.402 . . . . 25.0 110.04 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -26.1 39.27 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.565 0.698 . . . . 25.0 110.826 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 25.5 t -76.47 -31.69 57.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.709 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 17.1 pt -92.36 -23.65 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.709 0.633 . . . . 25.0 112.709 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 807' ' ' VAL . 31.3 m -91.87 24.27 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 122.32 1.057 . . . . 25.0 109.728 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -121.16 57.48 6.53 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.616 -1.174 . . . . 25.0 109.347 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.03 -7.82 22.25 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 117.458 -1.228 . . . . 25.0 112.907 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -97.42 -9.6 27.0 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 122.53 1.157 . . . . 25.0 110.494 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 53.65 44.69 29.37 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 112.011 -2.359 . . . . 25.0 113.251 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.21 -8.34 13.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.3 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.69 62.22 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.114 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.43 156.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.497 HG22 HG23 ' A' ' 799' ' ' VAL . 48.7 t -96.62 123.75 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.949 0.404 . . . . 25.0 109.926 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 7.4 p -102.11 170.12 8.31 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.933 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -51.34 -44.08 61.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 176.38 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -16.02 60.44 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.261 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.4 -36.4 20.7 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.071 0.462 . . . . 25.0 111.485 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.466 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 66.9 m-85 -59.58 -33.5 71.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.184 0.516 . . . . 25.0 111.935 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -62.9 -31.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.573 0.701 . . . . 25.0 110.402 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -51.89 -40.52 60.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.309 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.586 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.1 t80 -78.22 -43.85 27.27 Favored 'General case' 0 C--O 1.208 -1.094 0 O-C-N 121.82 -0.55 . . . . 25.0 110.112 174.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.427 ' CE ' HD12 ' A' ' 778' ' ' LEU . 1.5 tpt -61.0 -21.75 63.86 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 116.258 1.947 . . . . 25.0 116.258 -176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -80.02 -19.6 47.34 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 120.681 -1.262 . . . . 25.0 109.141 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -77.46 -19.79 55.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.614 -0.721 . . . . 25.0 110.444 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.58 -20.38 2.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 121.827 0.822 . . . . 25.0 111.591 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 77.9 p -66.46 3.42 0.97 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.354 1.242 . . . . 25.0 114.354 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -123.7 150.48 44.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.327 0.651 . . . . 25.0 110.057 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.65 148.35 33.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.609 1.337 . . . . 25.0 114.609 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 172.57 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.776 -1.564 . . . . 25.0 106.776 171.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -76.09 -35.06 59.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.785 0.802 . . . . 25.0 109.594 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -21.75 62.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.52 -0.764 . . . . 25.0 111.147 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.84 -21.95 65.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.606 -0.27 . . . . 25.0 111.152 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.16 -33.27 71.95 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.736 0.779 . . . . 25.0 109.962 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -68.86 -37.81 79.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.915 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.22 -37.58 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 -174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -78.08 -0.87 29.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.04 0.448 . . . . 25.0 111.363 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.25 3.94 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.391 0.676 . . . . 25.0 111.528 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 79.9 p -50.23 -28.6 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -22.78 67.08 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.503 1.047 . . . . 25.0 112.843 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -40.1 58.07 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.975 -1.078 . . . . 25.0 108.385 175.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -66.85 -42.97 89.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.18 -45.52 93.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.494 -0.321 . . . . 25.0 111.859 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.93 71.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.76 0.79 . . . . 25.0 109.407 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.05 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.216 -0.754 . . . . 25.0 111.216 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -114.79 -3.21 12.81 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.127 0.463 . . . . 25.0 112.23 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -86.46 152.7 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.369 -0.974 . . . . 25.0 108.369 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -88.06 0.66 55.7 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.91 1.078 . . . . 25.0 113.91 -174.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -146.59 159.92 42.83 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.304 -2.109 . . . . 25.0 105.304 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.4 tp -110.43 148.5 13.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -86.67 151.2 23.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.704 -1.961 . . . . 25.0 105.704 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -56.06 -33.2 64.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.085 0.469 . . . . 25.0 109.849 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.87 -34.08 77.13 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.749 -0.66 . . . . 25.0 112.708 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.16 -38.12 78.58 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.142 -0.349 . . . . 25.0 110.849 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.7 -39.87 80.29 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 121.938 0.875 . . . . 25.0 108.802 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -80.72 31.87 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.256 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -128.24 -34.65 2.06 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.502 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -101.13 -18.24 16.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.238 -1.346 . . . . 25.0 109.021 177.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.502 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 11.7 mt -118.25 82.71 18.85 Favored Pre-proline 0 N--CA 1.467 0.418 0 CA-C-O 120.838 0.351 . . . . 25.0 111.758 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.64 -33.43 79.36 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 117.336 2.014 . . . . 25.0 117.336 166.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.46 -171.98 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 N-CA-C 116.633 1.743 . . . . 25.0 116.633 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -16.71 17.49 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -56.29 -29.72 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.078 -0.389 . . . . 25.0 110.541 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.19 -50.0 72.02 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.972 -0.455 . . . . 25.0 110.908 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.32 -32.35 64.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 120.365 -0.534 . . . . 25.0 111.237 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -52.42 63.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.463 -0.79 . . . . 25.0 109.351 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.93 -43.88 97.59 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 110.172 -0.307 . . . . 25.0 110.172 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 46.1 mt -59.32 -39.61 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 25.0 110.758 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.21 64.77 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.05 -7.76 17.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.311 0.577 . . . . 25.0 110.554 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.1 ttm -79.79 150.4 30.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.867 -0.52 . . . . 25.0 110.246 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.49 130.4 94.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.058 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.71 88.76 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.616 2.21 . . . . 25.0 114.295 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 178.387 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.428 0 N-CA-C 109.293 -1.523 . . . . 25.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 139.25 48.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -141.96 144.51 33.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -85.0 109.52 18.25 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.719 -0.792 . . . . 25.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -69.17 -37.2 78.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.687 -1.142 . . . . 25.0 111.039 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.25 -26.11 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.342 0.867 . . . . 25.0 113.342 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -102.49 19.05 19.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.866 0.365 . . . . 25.0 110.49 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.6 p90 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 115.426 1.639 . . . . 25.0 115.426 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.235 0.332 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.58 144.17 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.512 0.673 . . . . 25.0 110.172 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . 0.423 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 59.5 p -97.58 166.86 11.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.455 -177.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -25.05 65.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.812 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -82.16 -39.45 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.572 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.434 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.8 tp60 -59.47 -42.39 91.93 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.011 0.434 . . . . 25.0 110.152 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.5 ptp -73.16 -21.04 60.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -42.61 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.52 -35.44 40.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.199 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 42.7 t80 -70.49 -22.12 62.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -21.66 61.25 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 120.928 -1.108 . . . . 25.0 108.728 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.11 -22.85 67.14 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.993 0.815 . . . . 25.0 111.43 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -17.2 56.36 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.057 -0.402 . . . . 25.0 111.362 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -23.68 45.86 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.58 -8.87 10.37 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 178.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.46 -51.91 45.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.062 0.458 . . . . 25.0 112.19 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.473 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.2 m-85 -104.05 2.15 31.82 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.354 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 22.1 t0 -56.99 104.44 0.16 Allowed 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.947 0.879 . . . . 50.0 111.783 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.513 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 60.3 mtt180 -58.5 -33.8 70.22 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.418 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -115.59 -2.39 12.51 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.638 0.586 . . . . 75.0 110.805 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.73 30.41 16.8 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.406 1.632 . . . . 25.0 115.406 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 56.6 p -69.54 -11.06 60.53 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.85 61.7 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.755 -1.738 . . . . 25.0 108.755 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.5 136.32 14.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.959 -1.12 . . . . 25.0 108.474 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.89 125.55 41.4 Favored 'General case' 0 C--O 1.195 -1.774 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.93 -167.64 35.66 Favored Glycine 0 C--O 1.196 -2.221 0 N-CA-C 108.917 -1.673 . . . . 25.0 108.917 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -60.67 -60.54 0.25 Allowed 'Trans proline' 0 CA--C 1.534 0.516 0 CA-C-N 120.829 2.314 . . . . 25.0 114.254 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -16.82 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.581 0.705 . . . . 25.0 110.686 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.513 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 13.6 mt-10 -85.37 -45.69 11.66 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.346 -0.612 . . . . 50.0 109.346 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.461 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.2 t80 -58.67 -42.17 87.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.843 0.857 . . . . 25.0 111.465 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -23.04 67.19 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.621 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.53 -34.5 21.51 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 45.5 t -62.95 -45.6 91.72 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.116 0.96 . . . . 25.0 109.798 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.77 -18.74 45.67 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.764 1.764 . . . . 25.0 115.764 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.55 -40.26 85.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 57.5 m -79.75 -3.34 47.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.744 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.41 -3.85 17.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.405 -0.361 . . . . 25.0 110.642 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . 0.461 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 79.21 47.09 7.73 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 118.598 -1.763 . . . . 25.0 113.105 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.13 159.58 17.14 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 118.409 2.744 . . . . 25.0 118.409 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -86.99 7.83 25.89 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.832 0.825 . . . . 25.0 111.04 -175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.78 -179.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.211 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -171.74 -162.7 24.44 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.704 -2.158 . . . . 25.0 107.704 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.09 6.79 5.84 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.26 143.89 98.5 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.62 -22.71 74.26 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 120.536 0.824 . . . . 25.0 113.968 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.0 -39.17 18.37 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.02 -34.31 89.63 Favored Glycine 0 C--O 1.206 -1.596 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.506 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.55 -27.22 68.28 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.003 0.901 . . . . 25.0 110.942 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.08 -40.09 47.35 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.431 -0.793 . . . . 25.0 109.229 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.16 -33.1 69.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.625 . . . . 25.0 109.588 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.09 99.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.39 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.634 -0.426 . . . . 25.0 111.788 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -60.44 -43.53 96.72 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.2 mt -70.87 -41.46 77.23 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.09 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 25.0 110.96 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.2 t -77.67 -34.35 53.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.103 -0.498 . . . . 25.0 111.89 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.0 pt -83.93 -24.69 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 121.706 -0.621 . . . . 25.0 110.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 807' ' ' VAL . 24.6 m -93.39 21.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 122.451 1.119 . . . . 25.0 109.38 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -122.76 64.33 22.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.231 -1.349 . . . . 25.0 107.888 167.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 -6.53 19.12 Favored 'Trans proline' 0 C--N 1.348 0.542 0 N-CA-C 114.391 0.881 . . . . 25.0 114.391 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -111.13 -1.82 16.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.71 40.91 28.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 25.0 112.919 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.37 -6.8 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.147 -0.933 . . . . 25.0 110.894 177.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.8 20.06 69.11 Favored Glycine 0 N--CA 1.458 0.144 0 C-N-CA 121.229 -0.51 . . . . 25.0 113.857 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -140.06 151.82 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.591 HG22 HG23 ' A' ' 799' ' ' VAL . 53.3 t -91.89 125.6 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -176.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.4 p -104.8 166.75 10.18 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.778 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.479 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.38 -41.65 60.83 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 177.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.21 -17.24 60.39 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.546 -0.462 . . . . 25.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.04 -36.56 18.12 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.249 0.547 . . . . 25.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.479 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.56 -33.85 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.462 0.649 . . . . 25.0 110.896 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.8 mm -60.52 -32.36 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 115.103 -0.953 . . . . 25.0 110.618 -175.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.8 -49.56 62.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.591 -0.731 . . . . 25.0 110.52 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -69.09 -41.33 77.63 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 121.134 0.493 . . . . 25.0 110.534 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.29 -22.55 66.12 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 30.5 t -82.1 -19.71 39.6 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.136 -0.977 . . . . 25.0 109.07 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -20.02 57.81 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.169 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.83 -21.76 4.59 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 122.002 0.906 . . . . 25.0 111.52 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 69.1 p -67.19 2.42 1.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -118.82 141.13 48.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.099 0.56 . . . . 25.0 110.507 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.23 140.47 57.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.5 m -150.4 156.72 42.03 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.48 -47.87 78.32 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.057 0.932 . . . . 25.0 112.177 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . 0.461 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 1.4 p -75.6 -21.58 57.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.537 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.31 -25.55 64.28 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.611 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.33 -33.17 69.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.836 0.827 . . . . 25.0 110.145 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -70.75 -37.6 73.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.8 p -76.65 -31.65 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.86 -9.61 46.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.75 -16.36 4.26 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.731 0.412 . . . . 25.0 111.771 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 89.9 p -50.23 -28.77 8.15 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -22.14 66.64 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.159 -0.963 . . . . 25.0 113.25 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -38.36 53.87 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.06 -41.88 90.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.06 -47.44 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.4 90.23 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.34 -85.87 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.887 -0.673 . . . . 25.0 111.922 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -115.01 -19.98 10.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.389 0.885 . . . . 25.0 113.389 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -74.57 154.0 38.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.387 0.613 . . . . 25.0 110.401 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -88.01 1.87 53.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -147.63 160.06 43.08 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.9 tp -111.64 149.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.6 p -88.46 150.22 23.25 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 65.5 mtt -55.69 -33.28 64.03 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 110.134 -0.321 . . . . 25.0 110.134 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -21.49 59.17 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 -176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.3 -40.01 67.86 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.66 -38.99 92.88 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -80.81 28.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 123.125 0.57 . . . . 25.0 111.377 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -125.82 -39.08 2.15 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.984 -1.487 . . . . 25.0 106.984 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.543 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.4 pt-20 -89.94 -24.11 21.39 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 174.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.543 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.1 mt -122.07 81.04 43.42 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.92 -0.582 . . . . 25.0 111.339 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.07 -23.75 62.46 Favored 'Trans proline' 0 CA--C 1.583 2.959 0 C-N-CA 114.983 -2.878 . . . . 25.0 118.862 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.485 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 32.9 Cg_endo -84.65 -165.1 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.561 0 N-CA-C 117.306 2.002 . . . . 25.0 117.306 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -51.19 -29.49 14.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.249 -1.342 . . . . 25.0 113.934 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -57.63 -31.46 66.28 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.569 -0.452 . . . . 25.0 111.936 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -65.8 -46.78 77.38 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.261 -0.899 . . . . 25.0 111.108 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.52 -34.48 74.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.191 -0.604 . . . . 25.0 111.097 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -51.29 69.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.636 . . . . 25.0 109.393 173.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.82 -45.33 93.1 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.371 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 43.9 mt -59.83 -40.72 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 122.506 0.323 . . . . 25.0 110.435 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.23 -33.52 76.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -177.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -8.67 35.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.514 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.4 ttm -79.2 152.92 30.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.506 -0.746 . . . . 25.0 112.007 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.02 134.51 89.68 Favored Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 120.083 -0.647 . . . . 25.0 109.984 -173.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.07 89.57 1.16 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 124.088 3.192 . . . . 25.0 114.462 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 121.764 0.792 . . . . 25.0 109.379 178.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.617 0 N-CA-C 111.115 -0.794 . . . . 25.0 111.115 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.8 140.49 47.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.9 mt -141.98 153.68 44.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.204 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 23.6 t0 -92.05 108.85 20.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.435 0.636 . . . . 25.0 110.517 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.778 -1.101 . . . . 25.0 111.748 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -92.22 -25.25 18.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.709 1.004 . . . . 25.0 113.709 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 14.2 t -102.75 18.22 21.94 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.514 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 2.9 p90 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.1 OUTLIER -60.41 151.75 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.752 0.787 . . . . 25.0 111.787 176.356 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.7 t -97.42 159.01 15.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.737 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.582 . . . . 25.0 109.845 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.43 -36.23 29.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.78 -0.368 . . . . 25.0 110.188 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.453 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.9 tp60 -62.23 -41.26 98.25 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.881 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.433 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.2 ptp -72.83 -21.55 60.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -41.16 33.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.577 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.85 -36.15 50.28 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.937 -0.705 . . . . 25.0 109.824 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -72.74 -21.47 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.099 0.777 . . . . 25.0 113.099 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.67 -19.58 63.98 Favored 'General case' 0 C--O 1.2 -1.522 0 O-C-N 121.211 -0.931 . . . . 25.0 109.077 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.49 -20.62 63.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.949 0.795 . . . . 25.0 110.806 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 6.6 t -64.71 -13.11 53.19 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.929 -0.482 . . . . 25.0 110.806 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -23.16 55.95 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.103 1.149 . . . . 25.0 114.103 171.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.19 -10.38 13.86 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.625 0.25 . . . . 25.0 111.551 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -63.77 -58.05 8.04 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.13 6.13 35.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.611 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 33.4 t0 -59.7 104.54 0.29 Allowed 'General case' 0 CA--C 1.495 -1.168 0 CA-C-O 122.001 0.905 . . . . 75.0 111.432 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.489 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 44.0 mtt180 -55.19 -34.86 64.23 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 112.965 -1.925 . . . . 25.0 113.747 -174.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.45 3.48 13.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.628 -0.715 . . . . 50.0 110.828 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 57.79 33.53 23.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.141 1.534 . . . . 25.0 115.141 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 -18.14 60.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.59 18.19 45.94 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 109.766 -1.333 . . . . 25.0 109.766 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.5 p -154.48 135.74 14.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.97 126.88 42.43 Favored 'General case' 0 C--O 1.201 -1.484 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.21 -170.22 38.77 Favored Glycine 0 C--O 1.193 -2.434 0 N-CA-C 109.101 -1.6 . . . . 25.0 109.101 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -60.95 -58.44 0.46 Allowed 'Trans proline' 0 C--N 1.327 -0.572 0 CA-C-N 120.946 2.373 . . . . 25.0 113.685 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.55 -16.89 64.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.468 0.652 . . . . 25.0 111.074 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.489 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 11.3 mt-10 -87.57 -44.46 11.23 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 120.374 -0.531 . . . . 50.0 110.823 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.456 ' CG ' HG21 ' A' ' 807' ' ' VAL . 30.2 t80 -59.45 -39.24 82.98 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 123.708 0.803 . . . . 25.0 110.985 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -22.15 66.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.163 -0.471 . . . . 25.0 110.746 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.74 -35.89 20.51 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.37 -44.76 95.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.915 0.864 . . . . 25.0 110.062 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 19.8 mt -61.79 -18.8 61.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.845 1.795 . . . . 25.0 115.845 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.2 -36.77 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 26.2 t -73.51 -9.07 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.209 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.18 -10.39 14.98 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.052 0.22 . . . . 25.0 111.28 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.23 54.53 3.52 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 118.862 -1.637 . . . . 25.0 111.847 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -64.56 159.43 21.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 117.038 2.236 . . . . 25.0 117.038 -179.598 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -95.29 21.17 8.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.281 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.56 165.35 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.758 -1.11 . . . . 25.0 109.379 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.1 -170.42 18.04 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 105.747 -2.941 . . . . 25.0 105.747 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.51 9.11 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.825 0.813 . . . . 25.0 110.804 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.74 154.1 68.25 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.847 . . . . 25.0 109.283 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.26 -25.19 50.04 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 117.189 -1.407 . . . . 25.0 113.57 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -79.42 -43.87 22.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.04 -30.34 70.0 Favored Glycine 0 C--O 1.21 -1.374 0 C-N-CA 120.371 -0.919 . . . . 25.0 113.909 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.77 -28.78 69.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.238 1.019 . . . . 25.0 109.87 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.8 -38.58 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 794' ' ' ARG . 6.7 mm-40 -74.93 -32.15 61.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 25.0 110.82 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -44.53 95.63 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.229 -1.397 . . . . 25.0 107.229 173.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.66 72.14 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.866 -0.333 . . . . 25.0 111.837 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 791' ' ' GLU . 7.4 tmm_? -60.43 -40.62 91.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 174.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 10.9 mt -73.49 -42.29 56.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -26.24 38.68 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.135 0.493 . . . . 25.0 111.158 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -77.44 -31.97 54.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.885 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -89.47 -23.46 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.874 -0.516 . . . . 25.0 111.657 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.522 HG23 HG22 ' A' ' 807' ' ' VAL . 29.9 m -92.65 21.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.925 0.869 . . . . 25.0 109.901 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -122.36 60.91 14.0 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.63 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -70.18 -5.33 16.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 N-CA-C 114.433 0.897 . . . . 25.0 114.433 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -107.55 -1.97 20.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 56.28 41.46 29.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.964 0.905 . . . . 25.0 112.58 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.421 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.5 -8.12 18.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.933 -1.03 . . . . 25.0 110.569 177.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.1 20.47 64.9 Favored Glycine 0 C--O 1.233 0.093 0 C-N-CA 121.227 -0.511 . . . . 25.0 113.628 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.421 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.37 153.46 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -178.441 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.522 HG22 HG23 ' A' ' 799' ' ' VAL . 53.4 t -93.61 124.46 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.33 168.49 9.19 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 120.967 0.413 . . . . 25.0 111.51 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.474 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.04 -42.31 37.97 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 114.456 1.28 . . . . 25.0 114.456 178.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -15.85 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 25.0 110.621 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -89.22 -36.4 15.65 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.26 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 71.1 m-85 -59.77 -31.18 69.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 25.0 111.102 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.433 HG21 ' HE2' ' A' ' 748' ' ' MET . 11.6 mm -61.75 -31.58 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.595 0.712 . . . . 25.0 110.685 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.69 -48.43 40.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.786 -1.097 . . . . 25.0 110.716 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.73 -39.2 62.01 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 120.953 0.406 . . . . 25.0 111.346 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.402 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.86 -33.18 64.31 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 114.043 1.127 . . . . 25.0 114.043 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 39.2 t -79.2 -19.83 49.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.25 -1.531 . . . . 25.0 110.44 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -18.51 61.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.543 0.337 . . . . 25.0 111.705 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.63 -17.47 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.707 1.203 . . . . 25.0 111.986 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.9 p -73.76 8.75 1.76 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -128.17 151.84 48.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.24 0.616 . . . . 25.0 109.854 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.32 151.21 46.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.886 1.439 . . . . 25.0 114.886 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.88 171.35 14.18 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.608 172.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.9 -40.33 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.777 0.799 . . . . 25.0 110.181 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.6 p -68.63 -19.27 64.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.319 -0.855 . . . . 25.0 110.68 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.21 -22.43 62.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -35.02 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.78 0.8 . . . . 25.0 110.39 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -71.55 -42.35 67.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.65 . . . . 25.0 112.263 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.8 p -74.94 -30.09 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.396 -0.521 . . . . 25.0 110.013 -173.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.16 -13.03 61.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.72 -19.54 62.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.624 -0.673 . . . . 25.0 110.699 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.9 p -57.32 -27.3 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.65 -27.52 68.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.41 -37.31 80.2 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.843 -0.535 . . . . 25.0 109.604 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.82 -38.64 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.954 -1.128 . . . . 25.0 107.954 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -44.71 96.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.643 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.24 79.75 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.054 0.93 . . . . 25.0 109.468 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 85.82 -102.52 2.67 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 106.141 -2.784 . . . . 25.0 106.141 -171.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -123.59 2.55 8.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.832 1.419 . . . . 25.0 114.832 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.92 152.88 43.19 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -81.06 1.06 33.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 115.096 1.517 . . . . 25.0 115.096 -174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -152.29 160.81 43.28 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -111.49 149.26 14.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.57 -1.641 . . . . 25.0 106.57 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.0 p -87.83 152.33 22.18 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 106.544 -1.65 . . . . 25.0 106.544 173.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.1 mtt -56.36 -34.51 66.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 121.208 0.528 . . . . 25.0 109.689 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -71.97 -25.56 61.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -71.03 -37.18 72.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.34 -39.41 81.9 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -75.51 11.48 1.27 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.097 0.559 . . . . 25.0 112.5 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.6 -41.04 4.42 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -82.89 -26.97 31.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.36 90.87 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.63 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.39 -33.04 75.32 Favored 'Trans proline' 0 CA--C 1.577 2.645 0 N-CA-C 117.986 2.264 . . . . 25.0 117.986 165.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 26.5 Cg_endo -86.64 -165.76 0.27 Allowed 'Trans proline' 0 C--N 1.364 1.359 0 N-CA-C 116.909 1.85 . . . . 25.0 116.909 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -22.16 8.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -60.64 -28.13 68.32 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.564 -0.71 . . . . 25.0 110.499 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.385 -0.822 . . . . 25.0 111.976 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.73 -33.4 70.8 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.904 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.68 71.54 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 173.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.044 -0.262 . . . . 25.0 110.856 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.55 -41.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 110.882 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.98 67.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.05 -4.94 21.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -79.81 154.42 28.46 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.563 -0.711 . . . . 25.0 111.323 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -71.77 136.48 82.91 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.728 -174.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.18 92.29 1.0 Allowed 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 124.223 3.282 . . . . 25.0 114.361 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.319 -0.732 0 CA-C-O 121.606 0.717 . . . . 25.0 112.232 -179.437 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 CA-C-O 119.525 -0.597 . . . . 25.0 111.953 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.9 138.31 49.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.0 mt -142.0 150.7 41.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.617 0.228 . . . . 25.0 111.617 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 27.2 t0 -89.07 107.6 19.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.532 0.682 . . . . 25.0 110.957 177.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -69.63 -33.42 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.526 -1.215 . . . . 25.0 112.009 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -92.75 -23.44 18.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.9 t -107.75 21.34 17.57 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.161 0.505 . . . . 25.0 109.975 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.3 p90 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 114.484 1.29 . . . . 25.0 114.484 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.2 p . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 116.144 1.905 . . . . 25.0 116.144 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 153.34 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 172.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.4 t -97.55 156.5 16.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 25.0 109.837 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -30.54 71.66 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.93 -36.93 56.23 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.267 -0.271 . . . . 25.0 110.863 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -61.26 -40.84 95.57 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 121.532 0.682 . . . . 25.0 109.998 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.548 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.3 ptp -74.95 -21.32 59.24 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.87 -30.26 26.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.753 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.41 -40.46 17.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.0 t80 -69.86 -20.12 63.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -60.89 -19.96 61.18 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.16 -23.45 62.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.958 0.799 . . . . 25.0 110.068 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -16.26 48.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.12 0.485 . . . . 25.0 110.59 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -23.54 44.34 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -4.89 12.91 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.782 0.325 . . . . 25.0 111.342 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -68.34 -56.25 9.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.953 0.406 . . . . 25.0 112.07 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.415 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.1 m-85 -101.83 4.11 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 16.7 t0 -57.7 104.43 0.18 Allowed 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.938 0.875 . . . . 50.0 111.951 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.506 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.1 OUTLIER -57.5 -35.42 70.2 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.946 -174.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -115.75 -3.66 12.22 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.525 0.516 . . . . 50.0 110.293 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 63.32 30.88 15.59 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 51.8 p -68.97 -10.84 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.417 0.687 . . . . 25.0 112.557 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.93 15.69 60.78 Favored Glycine 0 CA--C 1.51 -0.281 0 N-CA-C 107.646 -2.182 . . . . 25.0 107.646 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.7 p -154.46 136.54 14.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.838 -1.181 . . . . 25.0 108.869 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -95.16 124.78 39.39 Favored 'General case' 0 C--O 1.194 -1.82 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.15 -166.09 33.23 Favored Glycine 0 C--O 1.196 -2.261 0 N-CA-C 109.491 -1.444 . . . . 25.0 109.491 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -62.33 -59.46 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 120.878 2.339 . . . . 25.0 113.857 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.91 -16.61 64.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 122.119 0.961 . . . . 25.0 111.524 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.506 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 19.9 mt-10 -86.66 -46.67 9.85 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.816 -0.754 . . . . 50.0 109.833 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.499 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.4 t80 -58.4 -41.51 85.07 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.66 0.784 . . . . 25.0 111.28 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.06 67.57 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 116.247 -0.433 . . . . 25.0 110.171 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.25 -34.4 21.97 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.313 0.506 . . . . 25.0 110.494 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.415 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.8 t -62.39 -46.84 86.82 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.45 -19.58 37.88 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 116.79 2.145 . . . . 25.0 116.79 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.56 -39.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.1 m -77.88 -10.02 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.973 -176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.33 -9.06 22.7 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.107 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . 0.422 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 80.66 53.84 3.89 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 118.658 -1.734 . . . . 25.0 111.059 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.76 163.79 8.81 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 116.698 2.11 . . . . 25.0 116.698 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . 0.48 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 51.7 p30 -97.45 17.61 17.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.349 -0.841 . . . . 25.0 110.539 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.44 171.25 18.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 114.957 -1.02 . . . . 25.0 110.082 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.43 -171.94 17.81 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 104.322 -3.511 . . . . 25.0 104.322 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.18 22.46 2.44 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.735 1.267 . . . . 25.0 109.823 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.16 153.78 92.39 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.5 -23.23 50.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 116.195 -2.07 . . . . 25.0 111.667 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -73.87 -46.76 42.77 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.62 -32.6 81.97 Favored Glycine 0 C--O 1.206 -1.631 0 C-N-CA 120.919 -0.657 . . . . 25.0 112.365 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.62 -29.79 70.8 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 117.94 0.87 . . . . 25.0 110.768 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.91 55.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.39 -35.58 75.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.415 -0.812 . . . . 25.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . 0.401 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.6 OUTLIER -62.72 -44.96 94.87 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 177.01 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.07 75.03 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.472 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -60.03 -43.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 792' ' ' PHE . 9.1 mt -70.45 -42.6 78.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -27.93 26.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.466 0.65 . . . . 25.0 110.677 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 30.4 t -78.92 -27.87 43.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.816 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.0 pt -92.2 -23.66 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.407 0.549 . . . . 25.0 112.179 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.53 HG23 HG22 ' A' ' 807' ' ' VAL . 35.0 m -90.03 21.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 122.428 1.108 . . . . 25.0 109.852 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -124.2 59.17 17.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.483 -1.235 . . . . 25.0 108.863 175.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.21 -4.43 14.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 114.801 1.039 . . . . 25.0 114.801 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -108.48 -1.69 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 56.94 40.51 28.75 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.06 -8.16 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.819 -1.082 . . . . 25.0 110.88 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.53 24.07 63.67 Favored Glycine 0 N--CA 1.459 0.225 0 C-N-CA 121.277 -0.487 . . . . 25.0 113.804 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.53 154.04 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -179.228 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.53 HG22 HG23 ' A' ' 799' ' ' VAL . 54.4 t -96.41 125.88 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 122.675 0.39 . . . . 25.0 109.998 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.06 169.68 8.41 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.638 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.47 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.19 -43.6 42.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.48 -17.69 60.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.266 0.555 . . . . 25.0 110.236 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.44 -37.6 19.59 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-O 121.538 0.685 . . . . 25.0 111.148 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.47 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 66.5 m-85 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.012 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.548 HG21 ' HE1' ' A' ' 748' ' ' MET . 9.5 mm -61.1 -32.34 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.888 0.851 . . . . 25.0 110.365 -176.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.34 -50.36 9.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.16 -1.382 . . . . 25.0 110.624 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.48 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 1.6 t80 -77.03 -42.46 38.43 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 119.996 -0.682 . . . . 25.0 111.749 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.15 34.52 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 114.566 1.321 . . . . 25.0 114.566 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 -20.12 50.13 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.088 -1.632 . . . . 25.0 110.86 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -78.27 -21.64 49.51 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.174 0.511 . . . . 25.0 110.417 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.432 ' HB3' HE21 ' A' ' 856' ' ' GLN . 1.7 tt0 -59.74 -7.41 1.58 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.326 1.45 . . . . 25.0 112.556 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 74.8 p -80.35 -0.82 38.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.775 -0.578 . . . . 25.0 111.651 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -110.01 161.08 15.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.834 0.454 . . . . 25.0 110.266 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.46 148.41 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.81 159.74 41.5 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 121.854 0.062 . . . . 25.0 111.139 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.39 -35.73 79.9 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.914 1.34 . . . . 25.0 109.943 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . 0.422 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 2.9 p -74.92 -16.32 60.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 112.344 -2.207 . . . . 25.0 113.209 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.466 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -48.53 -26.46 2.19 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -177.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.85 -37.8 74.52 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.996 0.903 . . . . 25.0 110.192 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -68.75 -39.95 80.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.948 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 826' ' ' ALA . 7.8 p -76.72 -36.33 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 -177.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 95.1 mtp -66.27 -16.26 63.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.74 62.81 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 122.116 -0.365 . . . . 25.0 111.155 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 99.6 p -62.33 -24.92 67.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.247 -0.283 . . . . 25.0 111.647 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -65.62 -22.71 66.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.215 -0.303 . . . . 25.0 111.759 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -69.09 -36.96 78.16 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.65 -41.35 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.516 -1.29 . . . . 25.0 107.516 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -46.39 89.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.492 -0.776 . . . . 25.0 111.044 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.65 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.147 0.975 . . . . 25.0 108.763 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 87.78 -102.34 2.8 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -114.98 3.44 14.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.715 0.757 . . . . 25.0 112.984 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 18.3 ptmt -89.54 155.04 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -79.13 -11.49 59.98 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.571 1.323 . . . . 25.0 114.571 -176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -136.93 169.05 18.41 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' A' ' 847' ' ' GLU . 2.4 tp -123.05 146.88 27.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 105.321 -2.103 . . . . 25.0 105.321 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 44.2 p -85.56 152.8 22.87 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.147 -2.168 . . . . 25.0 105.147 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.1 mtt -54.28 -37.07 64.33 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 173.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.99 -31.19 69.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.265 -0.88 . . . . 25.0 113.245 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.426 ' HB2' HG13 ' A' ' 843' ' ' ILE . 8.5 mt-10 -66.22 -37.97 86.82 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.42 -43.83 80.27 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -76.5 28.21 0.12 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.289 0.636 . . . . 25.0 111.403 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -127.57 -34.0 2.26 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.492 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 15.1 pt-20 -96.77 -25.89 15.34 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.76 -1.564 . . . . 25.0 107.093 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.6 mt -119.57 81.83 24.81 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 123.179 0.592 . . . . 25.0 110.404 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -63.16 -22.17 72.77 Favored 'Trans proline' 0 CA--C 1.575 2.547 1 C-N-CA 113.178 -4.081 . . . . 25.0 116.948 167.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.417 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 39.8 Cg_endo -81.9 -167.4 0.48 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 N-CA-C 116.731 1.781 . . . . 25.0 116.731 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -25.89 4.95 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 116.738 2.125 . . . . 25.0 116.738 176.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . 0.432 HE21 ' HB3' ' A' ' 819' ' ' GLU . 15.5 mp0 -57.22 -30.17 64.36 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.7 71.3 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 121.826 -0.546 . . . . 25.0 110.943 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.35 -36.49 76.94 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 120.211 -0.596 . . . . 25.0 110.651 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -53.31 59.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.1 -42.46 99.59 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.996 0.369 . . . . 25.0 111.996 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.18 -41.34 86.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.28 -17.44 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.34 5.83 13.62 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 121.993 -0.442 . . . . 25.0 110.53 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -89.98 162.46 15.38 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.93 -0.482 . . . . 25.0 111.579 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -79.69 132.92 59.94 Favored Pre-proline 0 C--O 1.22 -0.487 0 O-C-N 122.17 -0.331 . . . . 25.0 110.822 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.63 87.69 0.94 Allowed 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.77 2.98 . . . . 25.0 114.479 -176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 122.06 0.933 . . . . 25.0 112.514 -178.683 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.54 137.5 50.67 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.3 mt -142.15 145.48 34.25 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 122.811 0.069 . . . . 25.0 110.866 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.48 115.57 22.13 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.556 -0.858 . . . . 25.0 110.459 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -67.18 -40.47 86.56 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.542 0.526 . . . . 25.0 111.827 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.19 -30.2 18.72 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.1 t -97.82 17.56 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.784 0.326 . . . . 25.0 110.174 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.483 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 15.9 p90 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 114.457 1.28 . . . . 25.0 114.457 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.0 OUTLIER -115.47 146.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 117.566 2.432 . . . . 25.0 117.566 -176.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . 0.401 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 83.2 p -97.5 168.0 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.37 -0.832 . . . . 25.0 109.886 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -27.84 66.56 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.276 -0.42 . . . . 25.0 110.447 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.93 -39.16 26.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.096 -0.335 . . . . 25.0 110.096 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -60.23 -39.2 85.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.086 0.469 . . . . 25.0 110.873 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.31 -21.06 58.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.6 -33.23 31.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.864 -0.334 . . . . 25.0 110.655 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.49 -38.48 26.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 47.3 t80 -73.22 -21.3 60.67 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -63.49 -19.85 65.11 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.77 68.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-O 122.054 0.93 . . . . 25.0 112.789 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.3 p -58.4 -22.57 54.45 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.135 -0.978 . . . . 25.0 110.008 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -23.49 22.7 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -2.19 10.64 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -68.24 -57.45 5.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.539 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -104.14 5.83 35.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.656 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -57.19 103.82 0.14 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 122.395 1.093 . . . . 50.0 112.385 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 34.1 ttp180 -53.88 -37.68 63.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.002 -1.908 . . . . 25.0 113.462 -175.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.45 4.93 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.08 -0.509 . . . . 50.0 110.905 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 4.7 t60 56.82 34.99 25.64 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.212 1.006 . . . . 25.0 112.531 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 63.0 p -75.58 -6.44 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.608 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.35 14.56 68.38 Favored Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.36 14.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.606 -1.297 . . . . 25.0 109.22 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.7 129.13 40.13 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.445 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.8 -166.72 40.88 Favored Glycine 0 C--O 1.195 -2.339 0 N-CA-C 108.63 -1.788 . . . . 25.0 108.63 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.84 -63.72 0.12 Allowed 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 120.956 2.378 . . . . 25.0 114.325 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.39 -16.73 64.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.897 0.856 . . . . 25.0 110.548 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 15.0 mt-10 -85.15 -45.88 11.63 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 119.427 -0.909 . . . . 50.0 109.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.2 t80 -59.05 -42.29 89.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 123.383 0.673 . . . . 25.0 111.09 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -23.72 67.37 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.016 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.62 -35.06 21.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.12 -44.87 95.7 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 19.0 mt -60.35 -21.23 61.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 116.04 1.867 . . . . 25.0 116.04 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 34.6 mt -63.81 -36.72 77.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.4 t -73.01 -5.3 37.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.195 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.91 -22.18 12.31 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.019 0.2 . . . . 25.0 111.502 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.52 51.8 2.11 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 119.446 -1.359 . . . . 25.0 110.608 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -61.07 165.34 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 117.404 2.372 . . . . 25.0 117.404 179.635 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . 0.404 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 31.4 p-10 -99.15 15.12 27.0 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.937 0.895 . . . . 25.0 110.991 -175.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.98 172.12 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -158.99 -164.37 14.31 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 107.322 -2.311 . . . . 25.0 107.322 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -83.8 23.29 1.01 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.856 0.836 . . . . 25.0 109.191 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.67 154.53 73.55 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.101 -0.954 . . . . 25.0 110.937 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -64.81 -23.07 62.96 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.281 -1.346 . . . . 25.0 113.349 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -87.13 -45.28 10.83 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.58 90.32 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 120.668 -0.777 . . . . 25.0 114.891 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -65.3 -26.67 68.16 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 118.518 1.159 . . . . 25.0 110.492 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.93 -41.31 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.57 -34.07 71.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.095 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -49.21 76.61 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.95 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 25.0 111.62 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.27 -40.14 96.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.57 -42.12 63.35 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.72 32.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.29 0.567 . . . . 25.0 111.272 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 33.4 t -83.05 -18.41 39.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.451 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.3 pt -99.23 -23.55 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 807' ' ' VAL . 27.5 m -92.42 23.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.827 0.822 . . . . 25.0 111.192 -177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.78 64.17 31.19 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 121.952 0.882 . . . . 25.0 108.837 167.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.16 5.87 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.538 2.158 . . . . 25.0 115.977 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -0.77 14.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.109 -1.812 . . . . 25.0 106.109 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 56.32 39.9 30.0 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.083 1.353 . . . . 25.0 114.026 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -6.25 21.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.764 -1.107 . . . . 25.0 112.27 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.02 25.6 63.93 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.926 -0.654 . . . . 25.0 113.83 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.68 152.82 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 799' ' ' VAL . 45.0 t -90.73 126.05 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.06 0.457 . . . . 25.0 109.787 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.1 p -105.6 165.65 11.0 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.326 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.483 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -50.46 -42.15 53.97 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 178.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.51 -18.14 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.173 0.511 . . . . 25.0 110.28 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.6 18.75 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.131 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.483 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.6 m-85 -57.08 -33.07 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.517 0.675 . . . . 25.0 110.993 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.8 -32.74 50.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.173 -0.922 . . . . 25.0 111.016 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.55 -46.93 57.86 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.258 -0.883 . . . . 25.0 110.348 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.404 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.0 t80 -75.2 -37.99 60.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.986 0.898 . . . . 25.0 110.673 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.459 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -59.24 -27.41 65.75 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 121.063 -1.023 . . . . 25.0 112.505 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -22.51 32.41 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.694 -1.254 . . . . 25.0 110.179 176.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -69.77 -22.14 63.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.737 -0.665 . . . . 25.0 110.613 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.535 ' HB3' HE22 ' A' ' 856' ' ' GLN . 18.2 tp10 -49.67 -30.1 8.51 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.708 1.603 . . . . 25.0 114.671 -179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 76.4 p -70.17 3.69 2.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.11 -152.29 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 121.453 0.644 . . . . 25.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.02 149.0 46.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.14 163.14 38.44 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -75.9 -41.72 51.1 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.534 1.159 . . . . 25.0 109.513 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 41.0 p -66.7 -16.31 64.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.713 -1.131 . . . . 25.0 110.876 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.45 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -57.48 -24.52 56.27 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.9 -33.84 72.39 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.897 0.856 . . . . 25.0 110.347 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.84 -38.03 67.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.808 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 826' ' ' ALA . 12.1 p -81.52 -35.71 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.184 -0.607 . . . . 25.0 111.438 -175.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -66.27 -18.04 65.12 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.722 -0.611 . . . . 25.0 110.842 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.13 -28.93 63.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.256 0.55 . . . . 25.0 109.679 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 835' ' ' ILE . 7.7 m -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.458 0.911 . . . . 25.0 113.458 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.35 -26.64 68.85 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.763 -0.586 . . . . 25.0 111.092 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.84 70.12 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.117 -0.698 . . . . 25.0 109.117 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 832' ' ' SER . 3.8 mp -77.13 -39.48 28.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -47.09 85.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.457 -0.792 . . . . 25.0 110.387 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -70.16 -41.95 73.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.048 0.928 . . . . 25.0 109.911 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.3 -86.87 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.607 -0.997 . . . . 25.0 110.607 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -115.03 -24.34 8.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -69.77 150.66 46.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.3 0.572 . . . . 25.0 110.929 -173.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -83.94 2.05 40.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -149.51 161.16 42.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 105.2 -2.148 . . . . 25.0 105.2 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -112.75 150.85 14.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.178 -1.786 . . . . 25.0 106.178 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 70.5 p -91.15 154.71 19.15 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.3 mtt -57.55 -34.21 68.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.67 -33.12 75.21 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.326 -0.852 . . . . 25.0 111.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.45 -36.94 71.41 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.988 -0.445 . . . . 25.0 110.53 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.98 -38.76 83.11 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -75.04 7.24 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.42 -32.66 8.92 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.999 -1.112 . . . . 25.0 107.999 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -93.68 -28.14 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.281 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.5 90.98 46.32 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.74 0.416 . . . . 25.0 111.298 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.69 -28.5 76.66 Favored 'Trans proline' 0 CA--C 1.57 2.279 0 C-N-CA 114.616 -3.123 . . . . 25.0 117.058 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.401 ' HB3' ' H ' ' A' ' 744' ' ' SER . 57.1 Cg_endo -76.89 -172.36 1.4 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 116.602 -1.799 . . . . 25.0 116.649 176.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -16.4 2.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.798 1.639 . . . . 25.0 111.769 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . 0.535 HE22 ' HB3' ' A' ' 819' ' ' GLU . 25.1 mm-40 -54.59 -34.43 61.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.13 82.89 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.766 -0.374 . . . . 25.0 110.818 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.34 -32.87 66.86 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.416 -0.514 . . . . 25.0 112.315 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -50.98 68.94 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 172.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.63 -42.67 98.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.455 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.88 -41.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 122.853 0.461 . . . . 25.0 110.212 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -12.13 50.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.808 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.484 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -81.09 153.14 27.49 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.142 -0.349 . . . . 25.0 111.225 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.8 133.13 86.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.338 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.4 88.62 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.549 2.832 . . . . 25.0 115.26 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 178.862 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.606 0 CA-C-O 119.095 -0.836 . . . . 25.0 114.445 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 139.59 48.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.98 149.96 40.75 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.389 0.144 . . . . 25.0 111.389 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -90.73 110.01 21.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.509 0.671 . . . . 25.0 110.544 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -70.11 -36.43 74.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.659 -1.155 . . . . 25.0 111.926 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -89.26 -25.97 21.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.2 t -103.95 20.27 18.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.651 0.262 . . . . 25.0 110.99 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 4.4 p90 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 116.547 2.054 . . . . 25.0 116.547 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 113.832 1.049 . . . . 25.0 113.832 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.54 149.21 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.1 t -95.27 155.94 16.53 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.99 -0.444 . . . . 25.0 109.864 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -28.76 69.91 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.88 -36.72 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.723 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -62.33 -41.61 98.7 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 121.472 0.654 . . . . 25.0 110.038 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.502 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.1 ptp -72.49 -21.04 61.27 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -42.32 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.714 -0.395 . . . . 25.0 110.632 -175.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -38.39 63.79 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.4 t80 -70.51 -27.34 64.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -20.92 66.37 Favored 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.85 -23.33 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 118.454 0.57 . . . . 25.0 109.751 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.4 t -63.07 -13.24 33.56 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.048 -0.407 . . . . 25.0 110.883 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -56.02 -23.76 35.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.72 -13.31 12.68 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.769 0.319 . . . . 25.0 111.399 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.06 -51.93 48.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.175 0.805 . . . . 25.0 113.175 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.52 1.44 38.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.361 -0.381 . . . . 25.0 111.637 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.431 ' HA ' HD13 ' A' ' 766' ' ' LEU . 20.8 t0 -56.62 103.0 0.09 Allowed 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.839 0.828 . . . . 50.0 111.781 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.517 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 38.8 mtt180 -55.41 -35.6 65.54 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 114.056 -1.429 . . . . 25.0 113.645 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -115.61 -3.09 12.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.848 -0.614 . . . . 75.0 111.025 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.0 t60 60.39 33.04 20.77 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.074 1.509 . . . . 25.0 115.074 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 59.5 p -70.3 -10.43 58.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.341 0.656 . . . . 25.0 112.431 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.83 16.4 56.44 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 107.582 -2.207 . . . . 25.0 107.582 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.95 137.56 13.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.721 -0.74 . . . . 25.0 109.718 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -92.78 125.59 37.47 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.417 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -84.26 -164.71 37.98 Favored Glycine 0 C--O 1.198 -2.097 0 N-CA-C 109.413 -1.475 . . . . 25.0 109.413 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.79 -60.76 0.19 Allowed 'Trans proline' 0 C--N 1.33 -0.444 0 CA-C-N 120.874 2.337 . . . . 25.0 114.881 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.48 -16.88 64.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.963 0.887 . . . . 25.0 110.928 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.517 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 7.0 mt-10 -87.26 -46.15 9.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.242 -0.89 . . . . 50.0 109.561 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.443 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.4 t80 -59.36 -42.26 91.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 123.506 0.722 . . . . 25.0 110.768 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -22.43 66.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.65 -35.38 20.96 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.1 t -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.124 0.964 . . . . 25.0 108.555 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 20.6 mt -57.51 -18.8 20.77 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 116.587 2.069 . . . . 25.0 116.587 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.68 -39.23 83.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.9 m -75.01 -14.2 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.245 -175.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.95 -15.15 22.54 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.989 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.32 50.37 3.86 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 118.948 -1.596 . . . . 25.0 111.056 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.38 160.82 10.19 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.538 2.051 . . . . 25.0 116.538 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.37 13.44 19.46 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.817 0.818 . . . . 25.0 111.321 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.39 174.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.044 -0.98 . . . . 25.0 108.73 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.64 -160.84 9.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.898 -2.081 . . . . 25.0 107.898 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 4.95 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.684 0.742 . . . . 25.0 109.805 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -72.17 148.77 91.59 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.61 -22.9 37.34 Favored 'Trans proline' 0 CA--C 1.521 -0.161 0 CA-C-N 118.363 0.451 . . . . 25.0 112.257 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.18 -39.91 82.39 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -84.08 -30.94 27.13 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.264 -0.97 . . . . 25.0 112.657 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.97 -26.23 68.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 118.461 1.13 . . . . 25.0 110.675 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -76.01 -34.76 59.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.175 -0.92 . . . . 25.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.04 -43.22 95.5 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 175.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.54 -32.12 71.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.09 0.471 . . . . 25.0 111.416 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 792' ' ' PHE . 16.2 mt -71.48 -41.63 72.82 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -23.0 27.3 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.115 0.484 . . . . 25.0 111.271 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.6 t -80.84 -29.71 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.621 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -91.01 -23.49 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.811 -0.555 . . . . 25.0 111.91 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 807' ' ' VAL . 33.6 m -91.71 24.21 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 122.284 1.04 . . . . 25.0 109.712 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -130.94 68.51 81.96 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.232 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.66 0.47 4.81 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 N-CA-C 114.743 1.017 . . . . 25.0 114.743 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -115.21 -4.03 12.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.028 0.831 . . . . 25.0 109.594 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 51.75 41.48 29.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.112 0.965 . . . . 25.0 112.863 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.503 HD13 HG23 ' A' ' 806' ' ' VAL . 0.1 OUTLIER -97.87 -10.33 24.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.755 -1.112 . . . . 25.0 108.946 177.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.78 21.89 51.75 Favored Glycine 0 N--CA 1.458 0.127 0 CA-C-N 115.901 -0.591 . . . . 25.0 113.463 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.503 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -143.91 152.92 15.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.908 -0.405 . . . . 25.0 109.908 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.483 HG22 HG23 ' A' ' 799' ' ' VAL . 46.9 t -93.12 129.46 43.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.58 165.46 11.79 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.639 -0.709 . . . . 25.0 112.316 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.484 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -49.84 -40.06 40.98 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.91 -15.98 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.599 . . . . 25.0 110.578 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -90.04 -37.25 14.41 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.157 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.484 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 65.2 m-85 -57.31 -32.22 66.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.374 0.606 . . . . 25.0 111.496 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.502 HG21 ' HE2' ' A' ' 748' ' ' MET . 8.7 mm -59.94 -33.41 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.486 -0.779 . . . . 25.0 111.014 -176.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.17 -46.06 53.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.02 -0.991 . . . . 25.0 111.056 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -74.65 -41.05 61.05 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.315 0.579 . . . . 25.0 110.221 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -34.02 58.64 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.2 t -80.88 -19.71 43.86 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.337 -1.477 . . . . 25.0 110.603 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.76 -21.55 55.05 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.602 -0.272 . . . . 25.0 111.226 176.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -58.86 -9.73 2.0 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.836 1.254 . . . . 25.0 112.923 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.4 p -70.91 1.36 5.67 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.288 -0.882 . . . . 25.0 112.72 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -112.97 152.26 29.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.93 -1.137 . . . . 25.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.2 158.62 27.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.092 0.473 . . . . 25.0 111.716 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.08 163.77 35.21 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.477 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -64.03 -34.61 78.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.486 1.136 . . . . 25.0 109.727 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 3.3 p -77.08 -13.41 59.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.717 -1.129 . . . . 25.0 112.39 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.87 -21.8 63.63 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.68 -33.56 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.911 0.862 . . . . 25.0 110.151 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -73.18 -40.61 64.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.868 -0.606 . . . . 25.0 112.541 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.6 p -77.17 -33.18 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.618 -0.433 . . . . 25.0 109.868 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 46.6 mtt -67.69 -6.07 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 25.0 112.015 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.19 64.33 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.928 -0.483 . . . . 25.0 110.971 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.5 p -60.33 -28.0 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.085 0.469 . . . . 25.0 111.337 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -66.86 -22.79 65.97 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.183 -0.323 . . . . 25.0 111.086 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -36.69 68.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.05 -43.18 89.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.61 -46.04 90.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.27 90.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.816 0.817 . . . . 25.0 109.367 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.58 -86.57 1.04 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.978 -0.629 . . . . 25.0 112.076 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.91 -19.6 10.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.7 ptmt -73.78 155.22 39.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.197 0.522 . . . . 25.0 109.806 -176.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -90.85 3.11 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -148.31 161.21 41.99 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 105.488 -2.042 . . . . 25.0 105.488 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -113.04 150.69 15.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.1 p -89.16 150.37 22.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 105.68 -1.971 . . . . 25.0 105.68 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 56.2 mtt -54.12 -34.82 61.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.483 0.659 . . . . 25.0 110.093 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.76 -27.17 63.73 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.196 0.813 . . . . 25.0 113.196 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.35 -35.03 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.2 -37.79 75.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -80.18 28.85 0.29 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.532 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -121.8 -35.92 3.12 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 -176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.491 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -100.62 -21.71 15.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.086 -1.415 . . . . 25.0 108.683 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.491 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 9.6 mt -116.66 81.99 12.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -62.22 -25.69 77.06 Favored 'Trans proline' 0 CA--C 1.576 2.6 0 C-N-CA 113.907 -3.595 . . . . 25.0 117.249 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.15 -167.73 0.51 Allowed 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 117.005 1.887 . . . . 25.0 117.005 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.12 -20.56 26.5 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.278 -1.328 . . . . 25.0 112.218 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -35.06 71.16 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.336 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.26 -51.3 69.91 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.464 0.649 . . . . 25.0 111.324 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . 0.457 ' H ' ' HG2' ' A' ' 858' ' ' GLU . 5.3 pt-20 -77.07 -32.05 56.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.727 -0.669 . . . . 25.0 112.087 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.96 74.71 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 171.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.71 -44.26 86.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.801 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 31.2 mt -58.21 -42.5 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.924 0.392 . . . . 25.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.1 71.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -97.27 -15.55 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.827 -0.545 . . . . 25.0 111.129 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.502 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 6.9 ttm -69.85 154.82 41.44 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.189 -0.319 . . . . 25.0 111.347 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.02 137.64 76.02 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.187 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.14 91.62 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 125.206 3.937 . . . . 25.0 112.912 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.318 -0.766 0 CA-C-O 122.659 1.218 . . . . 25.0 113.869 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.353 0 N-CA-C 112.5 -0.24 . . . . 25.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 136.32 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.6 mt -141.95 152.04 43.13 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.949 0.099 . . . . 25.0 110.996 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.31 107.15 18.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 121.598 0.713 . . . . 25.0 111.727 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -64.64 -34.98 79.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.489 -1.232 . . . . 25.0 111.703 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -95.92 -15.0 22.67 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.4 t -114.32 20.21 15.68 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.6 p90 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 113.888 1.07 . . . . 25.0 113.888 176.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.926 0.393 . . . . 25.0 110.623 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.21 156.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.918 -0.583 . . . . 25.0 109.638 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.1 t -101.01 163.1 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.027 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.39 -33.4 75.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.18 -38.34 56.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.451 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.9 tp60 -59.82 -42.19 92.97 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.426 0.454 . . . . 25.0 110.755 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.416 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.8 ptp -73.2 -22.11 60.53 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.601 -0.888 . . . . 25.0 108.601 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -41.32 30.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.991 -0.284 . . . . 25.0 111.695 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.76 -35.0 45.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.9 t80 -70.8 -28.09 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -19.96 64.93 Favored 'General case' 0 C--O 1.199 -1.589 0 O-C-N 121.24 -0.913 . . . . 25.0 109.087 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.27 61.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.766 0.712 . . . . 25.0 109.821 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -14.05 48.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.039 -0.413 . . . . 25.0 110.262 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -23.74 51.8 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 173.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.28 -16.81 13.65 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.699 0.285 . . . . 25.0 111.631 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -63.99 -51.59 63.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.09 0.92 30.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 25.0 111.556 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.455 ' HA ' HD13 ' A' ' 766' ' ' LEU . 21.7 t0 -56.99 103.91 0.13 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.835 0.826 . . . . 50.0 112.118 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 36.4 mtt180 -53.51 -38.46 63.74 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 114.206 -1.361 . . . . 25.0 114.37 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -118.99 3.98 11.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.353 0.408 . . . . 50.0 111.258 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 57.68 41.34 25.51 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 122.06 0.933 . . . . 25.0 113.289 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -13.75 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.819 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.43 15.01 57.8 Favored Glycine 0 C--O 1.228 -0.248 0 N-CA-C 107.735 -2.146 . . . . 25.0 107.735 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.7 p -155.94 138.16 14.72 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.3 mm? -89.23 129.45 35.8 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.569 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.76 -168.34 43.49 Favored Glycine 0 C--O 1.198 -2.127 0 N-CA-C 109.6 -1.4 . . . . 25.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.71 -57.58 0.43 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 120.813 2.307 . . . . 25.0 115.26 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -68.65 -16.8 63.95 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.996 0.903 . . . . 25.0 109.894 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 4.8 mt-10 -88.53 -45.78 9.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.091 -0.959 . . . . 50.0 110.619 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.498 ' CG ' HG21 ' A' ' 807' ' ' VAL . 19.9 t80 -58.63 -41.44 86.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.934 0.894 . . . . 25.0 109.994 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -21.95 66.23 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.295 -0.412 . . . . 25.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.55 -35.63 20.97 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.68 -48.11 82.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.36 -18.74 18.83 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.3 -38.66 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.6 m -76.95 -9.05 58.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.828 -0.624 . . . . 25.0 112.03 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.38 -9.41 22.26 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 79.2 41.98 12.86 Favored Glycine 0 C--O 1.225 -0.456 0 C-N-CA 118.601 -1.762 . . . . 25.0 111.242 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 163.87 0.8 Allowed 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 117.635 2.457 . . . . 25.0 117.635 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -99.45 17.92 19.1 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.565 0.698 . . . . 25.0 111.16 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.68 170.98 18.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.361 -0.836 . . . . 25.0 109.757 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -167.18 -164.9 23.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 106.924 -2.47 . . . . 25.0 106.924 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -87.92 55.21 3.37 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -114.04 153.38 46.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.089 -1.414 . . . . 25.0 107.548 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.06 -23.97 66.98 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.604 -1.131 . . . . 25.0 114.147 -175.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.04 -46.68 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.743 -0.466 . . . . 25.0 109.743 175.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.09 -29.88 73.63 Favored Glycine 0 C--O 1.212 -1.265 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.59 -28.33 69.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.933 1.366 . . . . 25.0 110.659 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.85 -42.89 48.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.72 -33.61 71.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.434 -0.803 . . . . 25.0 110.091 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -48.85 74.4 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 122.359 1.076 . . . . 25.0 109.913 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 796' ' ' MET . . . -69.59 -28.95 66.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.835 -176.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.57 -38.71 91.96 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.5 mt -76.26 -36.95 31.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.423 ' HB2' ' HA ' ' A' ' 793' ' ' ALA . 0.0 OUTLIER -56.7 -23.83 44.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 123.691 1.71 . . . . 25.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.7 t -82.13 -21.69 36.53 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 113.573 -1.649 . . . . 25.0 114.103 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.92 -24.95 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.458 0 CA-C-O 125.374 2.511 . . . . 25.0 107.183 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.903 ' HA ' ' HB1' ' A' ' 811' ' ' ALA 0.295 0.5 OUTLIER -94.19 11.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 CA-C-N 110.995 -2.821 . . . . 25.0 111.351 -174.928 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -128.09 61.48 52.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 125.237 1.585 . . . . 25.0 107.711 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.05 -1.56 10.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 117.49 -1.207 . . . . 25.0 114.658 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.17 -3.87 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 57.15 39.57 28.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.99 0.916 . . . . 25.0 112.922 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -101.0 -7.28 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.883 -1.053 . . . . 25.0 108.659 177.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.44 21.14 65.09 Favored Glycine 0 C--O 1.235 0.16 0 C-N-CA 120.954 -0.641 . . . . 25.0 113.406 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.434 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -138.88 152.88 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 799' ' ' VAL . 48.8 t -91.85 125.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 122.914 0.486 . . . . 25.0 111.829 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . 0.51 ' O ' ' HB3' ' A' ' 811' ' ' ALA . 0.1 OUTLIER -104.38 167.25 9.87 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.494 0.664 . . . . 25.0 111.861 -179.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.63 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.7 OUTLIER -60.96 -30.44 70.25 Favored 'General case' 0 C--O 1.198 -1.606 0 N-CA-C 118.512 2.782 . . . . 25.0 118.512 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -78.44 -14.99 59.12 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . 0.903 ' HB1' ' HA ' ' A' ' 799' ' ' VAL . . . -87.88 -62.49 1.48 Allowed 'General case' 0 C--O 1.198 -1.657 0 CA-C-N 114.956 -1.02 . . . . 25.0 110.7 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.63 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 69.2 m-85 -33.49 -35.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 116.186 1.921 . . . . 25.0 116.186 173.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.416 HG21 ' HE1' ' A' ' 748' ' ' MET . 19.8 mm -57.43 -35.3 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.629 0.771 . . . . 25.0 110.993 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -45.35 -51.98 10.45 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 121.74 0.781 . . . . 25.0 109.773 173.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -69.65 -43.68 72.09 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.455 0.645 . . . . 25.0 111.155 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -31.16 61.52 Favored 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.7 t -82.71 -20.81 35.35 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.438 -1.413 . . . . 25.0 109.697 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -73.61 -21.51 60.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.481 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -14.3 11.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.354 1.062 . . . . 25.0 112.235 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 64.1 p -73.92 -3.56 29.71 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.925 -0.484 . . . . 25.0 111.443 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.2 132.07 48.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -65.55 141.69 58.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.726 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 3.7 m -140.13 157.04 46.25 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 122.493 1.139 . . . . 25.0 110.2 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -15.77 63.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.591 -1.186 . . . . 25.0 112.986 177.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.8 65.98 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.344 -0.222 . . . . 25.0 111.452 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.5 -33.07 70.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.995 0.903 . . . . 25.0 110.027 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -69.69 -40.41 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.057 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.48 -32.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 40.5 mtm -61.79 -18.85 61.47 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.84 -19.44 4.4 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 90.5 p -52.68 -30.39 31.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.944 0.498 . . . . 25.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . 0.409 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -62.43 -22.24 66.03 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.4 -0.813 . . . . 25.0 112.669 179.105 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -79.9 -34.79 38.77 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 120.978 -1.076 . . . . 25.0 108.592 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.29 -43.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.79 -46.45 89.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.692 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.2 92.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.873 0.844 . . . . 25.0 109.239 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.65 -91.31 0.96 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 25.0 110.802 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -115.08 -6.59 12.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -84.25 155.11 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.504 -0.747 . . . . 25.0 109.56 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.33 1.45 54.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -146.76 161.28 40.95 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -113.34 151.2 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.6 p -91.61 150.86 20.97 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 105.649 -1.982 . . . . 25.0 105.649 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.6 mtt -55.56 -34.19 64.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.513 0.673 . . . . 25.0 109.215 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.41 -32.59 74.27 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.779 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.55 -39.0 74.22 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.862 -0.524 . . . . 25.0 110.482 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.33 -35.53 79.59 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -80.74 20.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.088 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -109.97 -42.36 4.24 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -90.96 -27.25 18.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.775 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 857' ' ' ALA . 0.0 OUTLIER -120.83 86.47 41.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.191 178.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.9 -23.24 68.44 Favored 'Trans proline' 0 CA--C 1.581 2.873 0 C-N-CA 113.876 -3.616 . . . . 25.0 117.732 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.451 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 33.1 Cg_endo -82.16 -164.61 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 116.891 1.843 . . . . 25.0 116.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.69 -28.89 50.89 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 113.996 1.109 . . . . 25.0 113.996 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -54.94 -31.24 60.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 122.065 -0.397 . . . . 25.0 110.925 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -68.39 -48.26 65.18 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.371 -0.831 . . . . 25.0 111.984 176.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.45 -34.73 76.48 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.34 -0.544 . . . . 25.0 110.772 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -51.75 67.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.499 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -44.09 95.27 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.575 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.1 mt -60.0 -42.51 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 122.734 0.414 . . . . 25.0 110.578 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.092 -0.504 . . . . 25.0 111.598 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -11.56 58.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -77.09 150.54 35.65 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -72.61 141.59 82.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.954 -175.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.86 92.11 1.15 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 124.926 3.75 . . . . 25.0 116.007 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.6 m-85 . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.691 0.758 . . . . 25.0 111.383 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.715 0 N-CA-C 108.606 -1.798 . . . . 25.0 108.606 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 139.48 48.49 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.546 0.738 . . . . 25.0 109.042 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.5 mt -142.04 153.21 44.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.151 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.653 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 31.1 t0 -89.88 106.57 18.56 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.731 0.777 . . . . 25.0 110.374 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . 0.409 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 46.8 p90 -68.64 -35.72 77.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.331 -1.304 . . . . 25.0 112.324 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -90.81 -22.57 20.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.7 t -108.78 20.47 18.45 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 25.0 110.238 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.0 p90 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 115.634 1.716 . . . . 25.0 115.634 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 120.462 0.172 . . . . 25.0 110.627 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.36 148.01 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.719 0.771 . . . . 25.0 110.565 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -93.3 157.04 16.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -30.82 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 177.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.72 -36.72 36.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.521 -0.472 . . . . 25.0 110.475 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -60.16 -38.33 82.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.537 0.684 . . . . 25.0 110.514 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.54 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.9 ptp -76.96 -21.61 54.49 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . 0.674 ' HA ' ' HD2' ' A' ' 752' ' ' ARG . 0.2 OUTLIER -82.67 -29.64 29.82 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.638 -0.664 . . . . 25.0 111.9 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.41 -33.37 25.74 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 174.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 31.5 t80 -81.83 -24.23 35.97 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.02 1.859 . . . . 25.0 116.02 -175.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 749' ' ' ASN . 0.0 OUTLIER -68.74 -16.97 63.97 Favored 'General case' 1 N--CA 1.363 -4.823 0 C-N-CA 115.544 -2.463 . . . . 25.0 111.373 179.459 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.48 63.73 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -59.4 -14.7 13.04 Favored 'General case' 0 C--N 1.255 -3.535 0 C-N-CA 125.271 1.428 . . . . 25.0 110.034 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 812' ' ' PHE . 2.5 p90 -56.47 -24.88 48.75 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 114.138 1.162 . . . . 25.0 114.138 171.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -6.92 12.97 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.205 0.941 . . . . 25.0 111.006 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.57 -55.34 5.61 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.132 -0.486 . . . . 25.0 112.081 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.421 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 1.0 OUTLIER -104.08 1.09 30.5 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 119.724 -0.79 . . . . 25.0 112.173 -177.471 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.9 t0 -47.05 102.53 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.953 1.358 . . . . 50.0 112.488 174.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.423 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 13.1 ttp180 -53.62 -35.79 61.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.65 -2.068 . . . . 25.0 113.771 -175.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.76 3.97 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 50.0 111.343 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 58.17 36.08 25.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 73.7 p -73.85 -6.77 49.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.027 0.531 . . . . 25.0 111.998 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.49 2.68 61.62 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 109.448 -1.461 . . . . 25.0 109.448 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.2 p -155.71 156.48 34.97 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.715 0.806 . . . . 25.0 109.543 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.757 HD23 ' HZ ' ' A' ' 812' ' ' PHE . 1.3 mm? -104.86 147.5 27.67 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.328 -0.949 . . . . 25.0 108.92 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.492 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -88.65 -163.65 39.56 Favored Glycine 0 C--N 1.304 -1.203 0 N-CA-C 106.932 -2.467 . . . . 25.0 106.932 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.94 -55.85 0.24 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 CA-C-N 121.174 2.487 . . . . 25.0 112.609 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.47 -17.28 64.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.08 0.943 . . . . 25.0 110.569 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.7 mt-10 -88.75 -52.77 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 116.436 -1.745 . . . . 50.0 111.692 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.846 ' HB2' HG11 ' A' ' 807' ' ' VAL . 30.2 t80 -52.51 -37.78 58.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 123.023 2.647 . . . . 25.0 114.489 174.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -21.77 66.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.23 18.88 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 39.2 t -56.21 -48.66 76.0 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.562 1.172 . . . . 25.0 109.043 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 21.8 mt -60.98 -18.8 59.5 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.741 2.497 . . . . 25.0 117.741 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.34 -39.18 84.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.4 m -79.15 -4.64 51.44 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.332 -0.849 . . . . 25.0 111.792 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.9 -11.37 15.73 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 116.011 -0.54 . . . . 25.0 110.541 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.25 50.9 3.69 Favored Glycine 0 C--O 1.22 -0.749 0 C-N-CA 118.681 -1.724 . . . . 25.0 113.092 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.41 159.92 25.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 118.366 2.728 . . . . 25.0 118.366 -179.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -89.49 10.13 23.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.784 0.834 . . . . 25.0 111.132 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.54 171.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.357 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.77 -163.16 12.34 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 105.997 -2.841 . . . . 25.0 105.997 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -84.72 10.14 12.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 117.636 0.718 . . . . 25.0 109.553 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.14 150.74 91.72 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.657 -0.701 . . . . 25.0 109.344 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.09 -22.92 61.35 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.702 -1.065 . . . . 25.0 113.424 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.67 -45.08 13.83 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.61 94.17 Favored Glycine 0 C--O 1.209 -1.433 0 C-N-CA 121.015 -0.612 . . . . 25.0 113.937 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.6 -25.78 66.78 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 118.407 1.104 . . . . 25.0 111.633 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.99 -40.51 46.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -68.28 -38.27 81.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . 0.491 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.2 OUTLIER -62.54 -40.87 98.2 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.2 73.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.428 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.5 ttp-105 -62.33 -44.59 96.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.9 mt -67.36 -38.01 80.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -28.22 50.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.089 0.471 . . . . 25.0 110.384 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.0 t -81.0 -29.83 35.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.1 pt -83.1 -25.0 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.595 0.634 . . . . 25.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.559 ' HB ' ' HB1' ' A' ' 811' ' ' ALA . 26.1 m -85.33 16.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-O 122.139 0.971 . . . . 25.0 109.389 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -119.45 53.43 2.33 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.491 175.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.07 -1.4 10.48 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 116.706 -1.73 . . . . 25.0 114.367 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -108.66 -2.11 18.97 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 57.42 40.68 27.18 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -8.19 15.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.518 -1.219 . . . . 25.0 111.36 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.22 26.67 61.3 Favored Glycine 0 C--O 1.238 0.364 0 CA-C-N 116.069 -0.514 . . . . 25.0 112.949 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -142.07 154.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 121.967 -0.725 . . . . 25.0 111.588 -178.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.846 HG11 ' HB2' ' A' ' 771' ' ' PHE . 2.3 m -87.36 127.85 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.089 -1.449 . . . . 25.0 107.089 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.76 173.72 6.22 Favored 'General case' 0 C--O 1.185 -2.303 0 O-C-N 124.942 1.401 . . . . 25.0 108.868 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.481 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -54.48 -37.67 65.51 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 114.133 -1.394 . . . . 25.0 112.46 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -14.86 59.05 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.885 -0.326 . . . . 25.0 110.724 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . 0.559 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -85.68 -41.49 15.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 122.227 1.013 . . . . 25.0 109.58 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.757 ' HZ ' HD23 ' A' ' 766' ' ' LEU . 59.6 m-85 -51.39 -40.87 60.13 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.45 176.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.54 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.1 mm -62.51 -31.17 51.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.098 0.951 . . . . 25.0 111.427 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.31 -33.44 53.37 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.934 -1.03 . . . . 25.0 110.762 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -83.2 -48.38 10.56 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 120.706 0.289 . . . . 25.0 110.325 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -48.08 -34.67 9.99 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.557 2.058 . . . . 25.0 116.557 -177.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.9 t -75.15 -19.63 59.78 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 120.375 -1.453 . . . . 25.0 111.702 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -78.5 -18.15 55.21 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.828 0.451 . . . . 25.0 110.164 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.502 ' HB3' HE21 ' A' ' 856' ' ' GLN . 11.4 tp10 -49.67 -30.39 8.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 124.585 1.154 . . . . 25.0 112.243 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.5 p -68.12 4.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.1 -109.2 0.07 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 122.69 0.396 . . . . 25.0 111.544 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -157.76 142.46 16.48 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.18 145.85 16.86 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.44 -46.64 87.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.596 1.189 . . . . 25.0 111.524 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 13.7 p -72.03 -16.1 62.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.522 -1.217 . . . . 25.0 112.135 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.92 -22.06 65.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.686 0.279 . . . . 25.0 111.5 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.5 -35.28 75.56 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.877 0.846 . . . . 25.0 110.415 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.7 -40.59 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.944 -0.473 . . . . 25.0 111.717 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.47 -29.21 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -19.01 64.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.67 -19.35 1.53 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 78.0 p -54.14 -27.69 35.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.802 0.441 . . . . 25.0 112.117 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . 0.433 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -60.01 -23.01 63.32 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 178.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -77.06 -36.03 56.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.992 -1.067 . . . . 25.0 109.071 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.23 -42.56 91.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.45 -46.68 87.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.52 -44.08 88.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.607 0.717 . . . . 25.0 109.305 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.01 -89.72 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.593 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -115.0 -11.69 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -79.76 155.31 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 25.0 111.54 -172.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.6 -0.91 52.52 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.878 1.436 . . . . 25.0 114.878 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.41 ' CD1' ' HB1' ' A' ' 876' ' ' ALA . 36.0 p90 -154.65 161.1 41.73 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 105.849 -1.908 . . . . 25.0 105.849 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.4 tp -110.4 148.43 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.8 p -90.82 150.8 21.42 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.9 mtt -56.25 -30.1 61.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.798 0.332 . . . . 25.0 110.512 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -34.73 79.03 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 122.759 0.424 . . . . 25.0 111.971 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.07 -36.86 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.067 -0.396 . . . . 25.0 110.835 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.16 -41.3 86.25 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 107.405 -1.331 . . . . 25.0 107.405 176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.4 mtp-105 -80.64 32.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.623 0.769 . . . . 25.0 111.114 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -132.6 -33.36 1.24 Allowed 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.752 -1.573 . . . . 25.0 106.752 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.499 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -97.79 -21.51 16.91 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.499 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 12.4 mt -117.87 86.49 25.06 Favored Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.903 0.382 . . . . 25.0 110.682 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.86 -24.02 74.33 Favored 'Trans proline' 0 CA--C 1.576 2.593 0 C-N-CA 114.194 -3.404 . . . . 25.0 117.472 169.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.67 -167.88 0.47 Allowed 'Trans proline' 0 C--N 1.365 1.445 0 N-CA-C 116.876 1.837 . . . . 25.0 116.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.03 -16.33 6.96 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.718 1.377 . . . . 25.0 114.718 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . 0.502 HE21 ' HB3' ' A' ' 819' ' ' GLU . 0.9 OUTLIER -60.02 -27.26 66.75 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.619 -0.832 . . . . 25.0 109.143 176.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.92 -48.17 77.66 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.864 -0.522 . . . . 25.0 111.607 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.78 -35.14 74.63 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.5 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -51.54 67.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 174.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.37 -43.87 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.393 -0.192 . . . . 25.0 111.298 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.55 -41.29 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.759 0.314 . . . . 25.0 110.254 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.98 79.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.36 -8.45 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.52 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.7 ttm -81.05 153.19 27.51 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.39 -0.819 . . . . 25.0 112.279 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -74.9 139.55 73.48 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 120.443 -0.503 . . . . 25.0 110.941 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.58 92.1 1.04 Allowed 'Trans proline' 0 C--O 1.233 0.268 1 C-N-CA 125.341 4.027 . . . . 25.0 114.403 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.317 -0.813 0 CA-C-O 122.485 1.135 . . . . 25.0 113.313 -178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.472 0 N-CA-C 111.992 -0.443 . . . . 25.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 842' ' ' TYR . . . -112.86 139.45 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.92 149.9 40.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.94 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 22.6 t0 -88.18 110.27 20.56 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 121.593 0.711 . . . . 25.0 110.567 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . 0.433 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 51.9 p90 -70.24 -36.7 74.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.456 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -91.01 -16.39 28.02 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.1 t -114.3 21.14 14.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.4 p90 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 122.032 0.92 . . . . 25.0 113.112 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 121.081 0.467 . . . . 25.0 111.258 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.0 OUTLIER -116.8 142.26 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 CA-C-O 121.686 0.755 . . . . 25.0 111.639 171.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 83.4 p -97.55 166.58 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.311 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -63.38 -33.65 76.0 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.867 -0.419 . . . . 25.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.95 -40.16 60.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.717 -0.219 . . . . 25.0 111.294 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.8 -40.83 94.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.036 0.446 . . . . 25.0 110.837 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.94 -22.19 58.73 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.198 -1.038 . . . . 25.0 108.198 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -39.19 53.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.679 -0.237 . . . . 25.0 111.114 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.76 -38.1 39.47 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.419 -0.912 . . . . 25.0 109.785 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.435 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 35.9 t80 -67.77 -27.55 66.85 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.701 -0.625 . . . . 25.0 112.626 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.72 -19.82 62.83 Favored 'General case' 0 C--O 1.2 -1.539 0 O-C-N 121.315 -0.865 . . . . 25.0 109.127 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.96 -22.07 63.19 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.454 1.025 . . . . 25.0 110.24 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -16.42 52.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.998 0.427 . . . . 25.0 110.171 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -23.72 43.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.37 -15.61 13.54 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 111.723 0.268 . . . . 25.0 111.723 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -66.04 -49.49 67.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -173.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.423 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.04 1.16 30.68 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.498 -0.319 . . . . 25.0 111.195 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.7 t0 -56.85 103.29 0.11 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.843 0.83 . . . . 50.0 112.04 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.503 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 88.0 mtt-85 -57.55 -35.97 71.02 Favored 'General case' 0 CA--C 1.478 -1.796 0 CA-C-N 114.605 -1.179 . . . . 25.0 113.796 -173.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -115.59 5.57 14.39 Favored 'General case' 0 N--CA 1.439 -0.99 0 O-C-N 123.9 0.75 . . . . 50.0 110.614 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.2 p80 51.64 32.19 8.86 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 76.8 p -66.24 -12.91 59.14 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.18 14.99 55.21 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 108.132 -1.987 . . . . 25.0 108.132 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -157.0 136.33 12.07 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.4 mm? -88.18 130.39 35.07 Favored 'General case' 0 C--O 1.184 -2.347 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.504 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -82.56 -170.46 45.47 Favored Glycine 0 C--O 1.195 -2.316 0 N-CA-C 109.077 -1.609 . . . . 25.0 109.077 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.54 -57.18 0.61 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 CA-C-N 120.884 2.342 . . . . 25.0 115.25 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -70.74 -16.36 62.76 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.212 1.006 . . . . 25.0 109.433 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.1 mt-10 -84.82 -47.66 10.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.386 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CG ' HG21 ' A' ' 807' ' ' VAL . 18.5 t80 -58.4 -42.03 86.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 124.356 1.063 . . . . 25.0 111.922 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -22.13 65.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.928 -178.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.64 -32.69 21.89 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.423 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 42.3 t -62.82 -45.05 94.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.177 0.989 . . . . 25.0 108.613 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.69 -18.83 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 116.24 1.941 . . . . 25.0 116.24 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.33 -40.97 89.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.4 m -79.06 -4.23 49.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.725 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.33 -5.44 19.07 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.234 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.84 51.76 4.39 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 118.545 -1.788 . . . . 25.0 112.171 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.96 164.12 22.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 116.93 2.196 . . . . 25.0 116.93 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -98.02 7.89 45.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.694 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.82 -178.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.087 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -175.54 -165.61 31.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 104.087 -3.605 . . . . 25.0 104.087 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -85.84 25.7 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.736 1.268 . . . . 25.0 109.614 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.18 155.16 84.39 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.753 -1.112 . . . . 25.0 108.973 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -64.68 -26.2 61.12 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.131 -1.446 . . . . 25.0 114.016 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -82.13 -44.7 16.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.296 0.569 . . . . 25.0 109.729 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -71.12 -28.75 69.74 Favored Glycine 0 C--O 1.206 -1.598 0 N-CA-C 116.714 1.445 . . . . 25.0 116.714 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.03 -29.14 70.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 119.25 1.525 . . . . 25.0 110.38 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.27 60.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.798 0.809 . . . . 25.0 109.033 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -73.25 -34.04 65.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.055 -0.975 . . . . 25.0 109.754 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -46.69 82.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.65 71.25 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.437 -0.347 . . . . 25.0 111.529 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.81 -38.44 91.1 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 177.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 8.4 mt -78.13 -37.33 22.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 106.458 -1.682 . . . . 25.0 106.458 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.456 ' HA ' HG12 ' A' ' 799' ' ' VAL . 0.0 OUTLIER -56.45 -23.28 37.81 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 124.295 1.998 . . . . 25.0 111.135 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 11.2 t -81.25 -21.44 39.45 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 112.934 -1.939 . . . . 25.0 113.014 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.4 pt -93.98 -23.79 5.2 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 121.747 2.067 . . . . 25.0 108.23 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 1.003 ' HA ' ' HB1' ' A' ' 811' ' ' ALA 0.338 0.3 OUTLIER -94.94 15.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 110.028 -3.26 . . . . 25.0 110.374 -173.622 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.82 62.65 65.4 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.46 -1.245 . . . . 25.0 108.983 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.9 -2.38 11.4 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 114.792 1.035 . . . . 25.0 114.792 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -107.97 -3.9 18.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 55.26 40.84 31.71 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.085 0.954 . . . . 25.0 112.874 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.409 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -103.02 -6.57 22.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.655 -1.157 . . . . 25.0 109.319 177.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.39 19.27 66.87 Favored Glycine 0 CA--C 1.512 -0.129 0 C-N-CA 120.9 -0.666 . . . . 25.0 113.209 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.409 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -137.92 154.27 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 -178.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.638 HG22 HG13 ' A' ' 799' ' ' VAL . 57.7 t -92.74 126.69 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 123.184 0.594 . . . . 25.0 111.569 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 811' ' ' ALA . 0.1 OUTLIER -107.06 167.77 9.67 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-O 121.722 0.772 . . . . 25.0 111.99 -178.128 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.632 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -62.57 -29.61 70.71 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 118.888 2.922 . . . . 25.0 118.888 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -79.36 -15.27 58.16 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . 1.003 ' HB1' ' HA ' ' A' ' 799' ' ' VAL . . . -85.79 -62.35 1.55 Allowed 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.139 -175.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.632 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.0 m-85 -33.65 -35.71 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.946 1.832 . . . . 25.0 115.946 173.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 23.5 mm -58.93 -33.39 49.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.301 0.64 . . . . 25.0 111.238 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.69 -39.66 62.18 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.861 -1.063 . . . . 25.0 109.172 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.25 -46.82 21.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.704 0.684 . . . . 25.0 110.266 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.435 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.67 -31.51 47.95 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 115.181 1.549 . . . . 25.0 115.181 -176.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.8 -19.82 60.04 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.136 -1.603 . . . . 25.0 111.426 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -73.98 -19.32 60.7 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.479 -0.782 . . . . 25.0 110.306 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.507 ' HB3' HE22 ' A' ' 856' ' ' GLN . 10.6 tp10 -49.68 -32.24 12.84 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.283 0.989 . . . . 25.0 111.925 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.8 p -63.75 -2.64 1.86 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.654 1.354 . . . . 25.0 114.654 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -86.97 -145.63 0.12 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.469 ' HB2' HH22 ' A' ' 863' ' ' ARG . 21.7 t0 -128.81 136.39 50.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.36 147.79 33.89 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.18 -38.69 88.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.586 1.184 . . . . 25.0 109.966 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.1 p -75.16 -12.84 60.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.537 -1.21 . . . . 25.0 112.475 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.94 -23.25 65.14 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.81 -36.08 73.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.93 0.871 . . . . 25.0 110.076 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.58 -39.85 80.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.152 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.64 -34.96 30.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 44.6 mtt -69.94 -10.85 60.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.31 58.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.86 -0.525 . . . . 25.0 110.875 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.1 m -59.29 -26.45 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.2 -23.19 67.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.98 -0.45 . . . . 25.0 111.645 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.77 -36.23 75.59 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.473 -0.767 . . . . 25.0 109.173 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.61 -40.94 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -45.48 94.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.955 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.93 87.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.86 0.838 . . . . 25.0 110.546 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 89.72 -107.07 3.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 105.347 -3.101 . . . . 25.0 105.347 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -118.63 2.99 11.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.582 1.191 . . . . 25.0 113.73 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 18.6 ptmt -76.66 148.64 36.74 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.679 -1.6 . . . . 25.0 106.679 -176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.03 -7.08 53.84 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.78 1.4 . . . . 25.0 114.78 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -140.0 163.07 33.67 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.6 tp -115.79 149.0 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 104.953 -2.24 . . . . 25.0 104.953 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.5 p -86.69 152.51 22.49 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.5 mtt -53.75 -35.6 61.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.489 0.661 . . . . 25.0 109.567 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.17 -29.15 63.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.672 0.99 . . . . 25.0 113.672 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.51 -39.18 81.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.88 -38.82 89.79 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.45 27.95 0.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.214 0.606 . . . . 25.0 110.622 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -127.83 -35.13 2.11 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.51 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.2 pt-20 -96.42 -23.75 16.45 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.51 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.3 mt -116.63 84.65 15.5 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 122.627 0.371 . . . . 25.0 110.831 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.76 -24.21 74.59 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 C-N-CA 114.788 -3.008 . . . . 25.0 116.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.85 -171.17 1.11 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 116.167 -2.089 . . . . 25.0 116.317 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -58.9 -15.57 13.39 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 114.727 -1.124 . . . . 25.0 112.578 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . 0.507 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.1 mm-40 -52.04 -34.96 45.67 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.1 -54.69 41.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.911 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -69.23 -33.91 74.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -52.54 64.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -64.56 -42.02 95.94 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.399 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.3 mt -58.32 -42.23 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.01 0.524 . . . . 25.0 110.476 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.26 -31.5 72.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . 0.469 HH22 ' HB2' ' A' ' 822' ' ' ASP . 0.0 OUTLIER -95.23 -10.09 31.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.709 0.766 . . . . 25.0 113.006 -178.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.491 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.7 ttm -76.95 159.5 29.92 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.234 0.827 . . . . 25.0 113.234 -176.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.87 131.0 89.54 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.089 -175.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.78 88.29 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 124.011 3.141 . . . . 25.0 115.507 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 . . . . . 0 C--N 1.322 -0.609 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 178.077 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.829 0 CA-C-O 119.33 -0.705 . . . . 25.0 112.265 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 134.88 54.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.05 146.11 35.11 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 11.6 t0 -82.24 111.81 18.66 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.146 -0.621 . . . . 25.0 110.459 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -68.35 -35.68 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.29 -0.868 . . . . 25.0 112.299 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -94.06 -24.96 17.39 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.4 t -98.25 15.72 23.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.395 -0.594 . . . . 25.0 109.395 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.491 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.1 p90 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 114.98 -1.009 . . . . 25.0 112.894 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.543 0.702 0 N-CA-C 118.966 2.951 . . . . 25.0 118.966 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -68.14 153.78 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 113.715 -1.584 . . . . 25.0 113.61 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.8 t -96.35 158.53 15.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -27.89 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 25.0 109.861 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -81.15 -38.33 27.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.463 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 42.1 tp60 -60.96 -40.8 94.76 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.861 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.442 ' HE2' HG21 ' A' ' 813' ' ' ILE . 5.8 ptp -73.81 -21.0 60.29 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -44.24 25.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.266 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.13 -36.91 58.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -70.87 -24.43 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.696 -0.628 . . . . 25.0 112.59 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.28 -21.35 66.19 Favored 'General case' 0 C--O 1.198 -1.635 0 O-C-N 121.098 -1.001 . . . . 25.0 108.73 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.71 -22.5 64.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.069 0.849 . . . . 25.0 110.185 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -15.2 56.58 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.111 -0.368 . . . . 25.0 110.542 177.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -23.09 49.69 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.12 0.785 . . . . 25.0 113.12 174.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -115.6 -14.71 11.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.643 0.259 . . . . 25.0 111.588 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.85 -51.66 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.9 3.05 33.28 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 120.737 0.303 . . . . 25.0 110.639 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -57.07 104.51 0.16 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.299 1.047 . . . . 50.0 112.118 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.527 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 41.9 ttt180 -50.15 -35.86 27.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 112.953 -1.931 . . . . 25.0 112.976 -176.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -123.5 1.98 8.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.956 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.0 t60 61.47 29.65 18.49 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 50.5 p -70.33 -9.78 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.04 19.39 59.31 Favored Glycine 0 CA--C 1.511 -0.2 0 N-CA-C 107.611 -2.195 . . . . 25.0 107.611 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -155.7 136.25 13.31 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.942 -1.129 . . . . 25.0 109.584 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.401 HD23 ' CZ ' ' A' ' 812' ' ' PHE . 4.6 mm? -99.27 126.15 45.04 Favored 'General case' 0 C--O 1.201 -1.468 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.462 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -81.26 -167.43 38.24 Favored Glycine 0 C--O 1.199 -2.062 0 N-CA-C 109.594 -1.402 . . . . 25.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -62.87 -57.39 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.554 0 CA-C-N 120.633 2.217 . . . . 25.0 113.943 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.73 -17.35 64.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.562 0.696 . . . . 25.0 110.875 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.527 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.0 mt-10 -88.62 -45.83 9.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.701 -0.681 . . . . 50.0 110.087 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.473 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.9 t80 -59.45 -40.64 87.48 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.575 0.75 . . . . 25.0 110.53 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -22.77 66.33 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.251 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.49 -36.08 20.78 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.84 -48.33 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.27 -18.91 41.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 116.392 1.997 . . . . 25.0 116.392 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.25 -39.06 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 43.3 m -76.05 -8.54 57.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.88 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.01 -19.82 15.67 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 116.398 -0.365 . . . . 25.0 110.517 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.85 3.7 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 118.862 -1.637 . . . . 25.0 110.972 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.97 164.03 4.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.436 2.013 . . . . 25.0 116.436 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -96.56 17.67 15.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.861 0.838 . . . . 25.0 110.541 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.89 -177.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.65 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.33 20.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 104.863 -3.295 . . . . 25.0 104.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -91.91 22.45 4.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.27 1.035 . . . . 25.0 108.207 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.55 152.26 87.44 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.27 -25.41 64.59 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 117.948 -0.901 . . . . 25.0 113.854 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.82 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.56 84.61 Favored Glycine 0 C--O 1.206 -1.638 0 C-N-CA 120.69 -0.767 . . . . 25.0 114.766 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.99 -27.71 68.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.084 1.442 . . . . 25.0 111.211 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.36 -41.22 48.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.18 -36.01 76.89 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.429 -0.805 . . . . 25.0 109.967 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.49 -44.89 92.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.87 74.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.842 -0.343 . . . . 25.0 111.274 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -62.13 -39.23 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.18 -42.58 58.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.125 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -24.91 40.78 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.16 0.505 . . . . 25.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 29.4 t -81.58 -18.47 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 25.0 112.162 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -102.02 -23.4 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.736 1.013 . . . . 25.0 113.736 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.539 HG23 HG22 ' A' ' 807' ' ' VAL . 30.0 m -93.2 23.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 25.0 112.141 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.31 64.14 26.5 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 122.067 0.937 . . . . 25.0 108.985 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 -4.29 8.13 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.507 1.472 . . . . 25.0 115.275 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.73 -0.94 23.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 54.22 42.51 31.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.81 1.244 . . . . 25.0 113.938 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 804' ' ' LEU . 0.2 OUTLIER -105.16 -6.66 19.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.64 -1.618 . . . . 25.0 110.819 177.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.93 66.41 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.843 -0.694 . . . . 25.0 113.726 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.39 153.55 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.539 HG22 HG23 ' A' ' 799' ' ' VAL . 45.1 t -89.87 125.68 42.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 N-CA-C 110.385 -0.228 . . . . 25.0 110.385 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 4.6 p -103.77 168.65 9.0 Favored 'General case' 0 CA--C 1.494 -1.189 0 O-C-N 124.16 0.912 . . . . 25.0 111.791 -177.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.554 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 7.1 p90 -50.62 -47.31 58.36 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 115.86 1.8 . . . . 25.0 115.86 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -16.42 63.14 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.736 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.28 -37.95 16.72 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 114.993 -1.003 . . . . 25.0 110.616 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.554 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 59.1 m-85 -57.54 -33.58 68.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.949 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.442 HG21 ' HE2' ' A' ' 748' ' ' MET . 8.8 mm -60.41 -32.98 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.428 -0.806 . . . . 25.0 111.766 -176.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.93 -49.53 29.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.059 -0.973 . . . . 25.0 110.263 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -73.78 -42.07 61.54 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-O 121.705 0.764 . . . . 25.0 110.66 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.513 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.82 -27.85 53.35 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 114.621 1.341 . . . . 25.0 114.621 -178.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 23.9 t -85.87 -19.67 30.23 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.544 -1.347 . . . . 25.0 111.318 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.5 -22.25 64.54 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.114 0.483 . . . . 25.0 109.986 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.536 ' HB3' HE21 ' A' ' 856' ' ' GLN . 17.4 tp10 -54.73 -15.84 2.13 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.884 1.674 . . . . 25.0 114.264 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 34.5 p -70.39 1.61 4.8 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.739 -0.601 . . . . 25.0 112.483 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -122.67 154.23 38.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -79.8 163.85 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.067 0.765 . . . . 25.0 113.067 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.15 163.85 31.86 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.38 -37.92 89.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.201 1.0 . . . . 25.0 110.024 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 17.1 p -72.48 -14.92 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.269 -0.878 . . . . 25.0 111.879 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.23 -26.85 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.059 0.225 . . . . 25.0 111.373 -176.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.02 -28.86 66.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 25.0 111.437 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -84.41 -42.21 15.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.775 -0.578 . . . . 25.0 111.97 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.0 p -76.02 -29.7 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.283 -174.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.68 -13.53 54.58 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.922 -0.486 . . . . 25.0 111.205 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.02 -26.09 65.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.1 p -62.96 -26.32 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.794 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.67 -24.69 67.76 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 122.092 -0.38 . . . . 25.0 110.658 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -71.92 -36.07 69.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.402 -0.811 . . . . 25.0 109.223 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.82 -40.64 76.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.273 -1.38 . . . . 25.0 107.273 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -40.06 94.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 25.0 110.026 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.43 66.0 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.431 1.11 . . . . 25.0 111.597 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.39 -83.05 1.12 Allowed Glycine 0 C--O 1.185 -2.937 0 CA-C-O 122.369 0.983 . . . . 25.0 113.624 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -114.6 -28.46 7.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.681 -1.259 . . . . 25.0 112.663 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -84.7 165.73 17.63 Favored 'General case' 0 N--CA 1.422 -1.842 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -91.73 1.86 56.88 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 124.355 1.062 . . . . 25.0 112.94 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -136.42 163.38 30.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 105.733 -1.951 . . . . 25.0 105.733 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -120.74 150.86 23.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 105.242 -2.132 . . . . 25.0 105.242 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.3 p -92.6 153.48 18.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.8 mtt -55.55 -32.74 63.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 120.998 0.428 . . . . 25.0 110.152 173.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.7 -37.03 84.85 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 123.338 0.655 . . . . 25.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.81 -37.43 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.672 0.273 . . . . 25.0 111.355 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.48 -36.6 73.95 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -81.42 30.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.97 -0.559 . . . . 25.0 110.551 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -132.62 -40.37 0.97 Allowed 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.531 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 20.9 pt-20 -91.94 -20.74 21.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.405 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.531 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 7.6 mt -122.26 87.58 48.24 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 122.791 0.436 . . . . 25.0 111.2 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.54 -25.68 79.77 Favored 'Trans proline' 0 CA--C 1.578 2.685 0 C-N-CA 114.345 -3.303 . . . . 25.0 118.258 171.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 57.8 Cg_endo -79.77 -169.3 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 118.226 2.356 . . . . 25.0 118.226 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.5 -21.63 6.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.596 -1.638 . . . . 25.0 112.459 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . 0.536 HE21 ' HB3' ' A' ' 819' ' ' GLU . 41.6 mt-30 -56.71 -36.61 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.246 -0.284 . . . . 25.0 110.72 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.133 0.492 . . . . 25.0 111.308 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.41 -31.76 60.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -50.18 71.33 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 85.8 m -63.07 -45.07 93.88 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.114 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.2 mt -59.0 -41.65 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.957 0.408 . . . . 25.0 110.916 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.44 91.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.748 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -12.24 46.03 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.28 0.474 . . . . 25.0 112.28 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -75.14 153.13 38.39 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.934 -0.479 . . . . 25.0 110.946 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.33 134.83 88.93 Favored Pre-proline 0 C--O 1.222 -0.392 0 C-N-CA 120.512 -0.475 . . . . 25.0 110.395 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.12 92.63 1.05 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.811 2.341 . . . . 25.0 114.206 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 C--N 1.322 -0.627 0 CA-C-O 121.914 0.864 . . . . 25.0 108.742 178.706 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.791 0 N-CA-C 111.001 -0.839 . . . . 25.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 140.25 47.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 5.8 mt -141.94 152.06 43.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 25.0 111.622 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 25.1 t0 -89.35 108.32 19.57 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 25.0 109.947 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -65.05 -39.27 93.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.405 -1.271 . . . . 25.0 110.696 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -89.04 -30.47 18.68 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.4 t -97.56 19.03 14.12 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.923 -0.485 . . . . 25.0 111.088 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 5.9 p90 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 116.067 1.877 . . . . 25.0 116.067 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 116.895 2.183 . . . . 25.0 116.895 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.2 OUTLIER -65.01 150.64 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.1 t -97.51 158.68 15.36 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.863 0.465 . . . . 25.0 110.689 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.51 69.04 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.014 -0.539 . . . . 25.0 109.923 176.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.11 -37.68 33.14 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.286 -0.259 . . . . 25.0 110.562 177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.185 0.517 . . . . 25.0 110.559 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.44 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.6 ptp -72.32 -21.06 61.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -39.2 23.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.91 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.4 -38.98 59.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 35.2 t80 -68.98 -28.69 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -19.67 60.7 Favored 'General case' 0 C--O 1.197 -1.688 0 O-C-N 121.231 -0.918 . . . . 25.0 109.797 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.54 -22.27 65.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.073 0.852 . . . . 25.0 110.325 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.6 t -63.93 -14.82 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.848 -0.533 . . . . 25.0 110.485 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -22.9 43.97 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 173.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.96 -17.36 12.9 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 111.918 0.34 . . . . 25.0 111.918 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -62.85 -53.65 50.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.05 3.02 32.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.156 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 766' ' ' LEU . 20.1 t0 -56.67 104.42 0.15 Allowed 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 122.711 1.244 . . . . 50.0 112.327 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.447 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 41.6 ttt180 -55.43 -30.17 59.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.775 -2.011 . . . . 25.0 113.389 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.52 3.6 7.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 57.38 38.43 28.38 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.981 0.896 . . . . 25.0 112.947 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.4 p -78.71 -8.39 58.66 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.84 -0.537 . . . . 25.0 112.314 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.64 63.02 Favored Glycine 0 C--O 1.23 -0.132 0 N-CA-C 107.928 -2.069 . . . . 25.0 107.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.58 136.32 12.49 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 114.102 -1.049 . . . . 25.0 109.996 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -98.26 125.03 43.17 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.469 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -80.91 -169.29 41.09 Favored Glycine 0 C--O 1.191 -2.593 0 N-CA-C 109.234 -1.547 . . . . 25.0 109.234 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -59.85 -59.81 0.36 Allowed 'Trans proline' 0 C--N 1.329 -0.467 0 CA-C-N 121.504 2.652 . . . . 25.0 114.016 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.45 -16.82 64.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 25.0 110.955 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 9.8 mt-10 -89.62 -45.59 9.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 120.109 -0.636 . . . . 50.0 110.018 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.45 ' CG ' HG21 ' A' ' 807' ' ' VAL . 24.7 t80 -59.14 -39.43 82.37 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 124.24 1.016 . . . . 25.0 110.961 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -23.15 65.83 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.936 -0.575 . . . . 25.0 110.438 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.58 -34.13 21.53 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.1 -46.8 89.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.724 0.773 . . . . 25.0 109.372 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.37 -18.83 60.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 116.451 2.019 . . . . 25.0 116.451 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.55 -38.28 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -73.74 -7.8 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.649 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.2 -5.58 15.88 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 123.371 0.42 . . . . 25.0 110.342 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 75.25 44.87 21.32 Favored Glycine 0 C--O 1.221 -0.658 0 C-N-CA 118.294 -1.907 . . . . 25.0 111.515 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.07 162.72 0.26 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 120.866 3.654 . . . . 25.0 120.866 -178.306 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . 0.544 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.0 t0 -85.0 9.98 13.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.008 1.723 . . . . 25.0 110.643 -175.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.0 169.84 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.247 -0.888 . . . . 25.0 108.663 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.4 -168.12 17.37 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 107.982 -2.047 . . . . 25.0 107.982 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.33 48.45 1.4 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -109.51 153.79 42.66 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.886 -1.052 . . . . 25.0 109.142 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.21 -25.52 57.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 116.859 -1.627 . . . . 25.0 112.926 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.31 -43.25 19.38 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.519 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.45 -31.51 68.35 Favored Glycine 0 C--O 1.213 -1.161 0 C-N-CA 120.141 -1.028 . . . . 25.0 114.24 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.4 -27.47 68.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.118 0.959 . . . . 25.0 109.778 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.84 -40.45 47.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -70.85 -36.0 72.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -49.25 72.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 174.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.82 74.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.109 0.481 . . . . 25.0 111.637 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.77 -41.81 98.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.4 mt -71.77 -41.66 70.29 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -27.53 31.43 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.168 0.508 . . . . 25.0 110.937 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.59 -32.33 53.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.907 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.8 pt -85.57 -23.48 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.691 -0.631 . . . . 25.0 111.946 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.551 HG23 HG22 ' A' ' 807' ' ' VAL . 33.5 m -92.42 24.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.974 0.893 . . . . 25.0 110.56 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -124.62 62.86 34.87 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 121.909 0.861 . . . . 25.0 110.373 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.0 -0.22 6.79 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 N-CA-C 115.068 1.142 . . . . 25.0 115.068 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -2.76 14.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 37.9 25.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.11 0.964 . . . . 25.0 112.789 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.494 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.33 -7.23 18.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.572 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.19 62.31 Favored Glycine 0 C--N 1.323 -0.147 0 C-N-CA 121.204 -0.522 . . . . 25.0 113.407 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.494 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.83 152.19 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -178.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.551 HG22 HG23 ' A' ' 799' ' ' VAL . 47.9 t -93.89 128.43 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.6 166.93 10.52 Favored 'General case' 0 C--O 1.206 -1.208 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.501 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -48.49 -42.42 32.76 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 114.881 1.438 . . . . 25.0 114.881 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -15.46 59.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.441 0.639 . . . . 25.0 110.55 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -90.19 -37.02 14.44 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.26 -0.882 . . . . 25.0 111.457 -177.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.501 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 68.5 m-85 -58.17 -31.81 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 25.0 111.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.44 HG21 ' HE1' ' A' ' 748' ' ' MET . 10.3 mm -61.53 -31.97 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.52 0.676 . . . . 25.0 111.363 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -50.95 -45.22 60.63 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.578 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.544 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.2 t80 -74.01 -43.18 58.88 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 121.545 0.688 . . . . 25.0 110.743 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -56.15 -28.61 58.65 Favored 'General case' 0 C--O 1.207 -1.138 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 28.2 t -85.86 -19.85 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 120.153 -1.592 . . . . 25.0 110.911 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.08 -27.82 61.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.49 ' HB3' HE22 ' A' ' 856' ' ' GLN . 4.8 tt0 -57.4 -16.39 9.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.611 1.564 . . . . 25.0 113.789 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 55.2 p -71.07 -4.31 24.39 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.76 -0.587 . . . . 25.0 111.88 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.54 146.25 24.23 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.32 139.13 54.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.541 -0.299 . . . . 25.0 110.202 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.86 152.75 40.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.57 -47.16 79.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.416 1.103 . . . . 25.0 110.499 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -15.78 63.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.532 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.16 65.77 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 111.836 0.309 . . . . 25.0 111.836 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -57.02 -36.34 70.33 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.105 0.955 . . . . 25.0 109.947 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.06 -38.88 86.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.222 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.63 -36.07 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 92.6 mtp -68.03 -14.76 63.22 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.513 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.88 -19.4 1.73 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 112.463 0.542 . . . . 25.0 112.463 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 81.3 p -53.34 -28.24 27.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.152 0.581 . . . . 25.0 112.244 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . 0.411 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.3 OUTLIER -60.31 -24.1 64.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.632 0.651 . . . . 25.0 112.312 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -77.78 -36.02 50.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 121.118 -0.989 . . . . 25.0 108.835 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.08 -43.32 85.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.76 -46.19 89.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.8 94.25 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.0 -96.84 1.6 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 108.388 -1.885 . . . . 25.0 108.388 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.17 1.71 11.37 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -81.21 155.07 26.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -87.72 2.36 51.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.977 1.473 . . . . 25.0 114.977 -175.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -148.77 161.77 41.12 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 105.773 -1.936 . . . . 25.0 105.773 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.4 tp -114.15 153.62 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 68.9 p -92.82 151.36 20.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.4 mtt -57.13 -32.61 66.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.358 0.599 . . . . 25.0 109.472 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.85 -33.38 75.49 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.575 -0.739 . . . . 25.0 112.453 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.09 -40.46 78.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.25 -40.24 90.06 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -76.12 13.8 0.83 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.014 -0.539 . . . . 25.0 112.401 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -111.04 -36.47 5.63 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.97 -29.96 21.64 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.23 93.12 48.81 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 25.0 110.811 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.88 -21.67 63.96 Favored 'Trans proline' 0 CA--C 1.579 2.757 0 C-N-CA 114.441 -3.239 . . . . 25.0 118.144 169.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -84.61 -165.45 0.3 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 N-CA-C 117.365 2.025 . . . . 25.0 117.365 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.56 -26.45 5.28 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.8 1.64 . . . . 25.0 112.446 174.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . 0.49 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.0 mm-40 -54.96 -36.2 65.07 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.153 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.01 63.77 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.713 -0.617 . . . . 25.0 112.48 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.29 -31.41 68.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.05 0.452 . . . . 25.0 110.645 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -54.78 39.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 172.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 95.8 m -61.78 -41.5 97.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.671 -0.241 . . . . 25.0 111.085 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 40.7 mt -60.07 -41.17 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.017 0.437 . . . . 25.0 110.421 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.02 -32.42 73.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -92.11 -9.88 40.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.975 0.417 . . . . 25.0 111.285 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.54 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.8 ttm -79.16 154.1 29.56 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.319 -0.863 . . . . 25.0 112.86 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.647 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -73.69 138.13 77.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.831 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 94.61 1.02 Allowed 'Trans proline' 0 CA--C 1.529 0.23 1 C-N-CA 126.039 4.493 . . . . 25.0 115.488 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.318 -0.768 0 CA-C-O 121.501 0.667 . . . . 25.0 112.591 179.283 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 N-CA-C 111.385 -0.686 . . . . 25.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -113.04 139.67 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -142.03 152.21 43.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.727 -0.215 . . . . 25.0 111.46 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 26.1 t0 -88.75 106.09 18.13 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.416 0.627 . . . . 25.0 110.126 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . 0.411 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 46.0 p90 -69.82 -31.43 69.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 114.891 -1.05 . . . . 25.0 112.454 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -94.0 -18.44 21.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 16.0 t -110.9 19.14 18.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.54 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 9.1 p90 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.033 -0.985 . . . . 25.0 113.385 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 117.467 2.395 . . . . 25.0 117.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 145.75 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 O-C-N 120.902 -1.123 . . . . 25.0 111.585 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.3 p -97.88 164.43 12.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.146 0.498 . . . . 25.0 110.231 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -31.69 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.227 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.74 -35.55 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.285 -0.566 . . . . 25.0 110.627 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -60.08 -42.68 95.12 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 121.127 0.489 . . . . 25.0 110.302 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.623 ' HE2' HG21 ' A' ' 813' ' ' ILE . 3.9 ptp -73.45 -21.04 60.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.19 -0.671 . . . . 25.0 109.19 -177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.93 -39.91 20.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.24 -175.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -38.03 54.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.405 -0.961 . . . . 25.0 108.405 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 53.2 t80 -69.83 -25.5 63.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.46 64.76 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 120.974 -1.079 . . . . 25.0 109.062 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.57 -19.99 62.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.256 0.48 . . . . 25.0 109.836 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 4.3 t -63.1 -15.68 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.865 0.364 . . . . 25.0 110.566 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -23.36 31.0 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.014 1.116 . . . . 25.0 114.014 173.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -112.93 -15.97 12.78 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 120.713 0.292 . . . . 25.0 111.409 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -62.53 -51.31 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.01 1.28 30.91 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.856 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.425 ' HA ' HD13 ' A' ' 766' ' ' LEU . 14.6 t0 -55.32 103.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.715 1.245 . . . . 50.0 113.225 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.435 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 77.1 ttt180 -55.87 -30.88 62.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.013 -1.903 . . . . 25.0 113.504 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -121.74 -0.64 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.54 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 58.58 36.23 25.02 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.2 p -74.26 -9.31 58.48 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 176.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.16 15.36 60.88 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.607 -1.797 . . . . 25.0 108.607 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.91 136.29 12.13 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.482 ' HB2' ' HZ ' ' A' ' 812' ' ' PHE . 4.6 mm? -88.55 141.71 28.3 Favored 'General case' 0 C--O 1.206 -1.237 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . 0.505 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -91.77 -167.42 40.39 Favored Glycine 0 C--O 1.207 -1.564 0 N-CA-C 107.127 -2.389 . . . . 25.0 107.127 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -64.03 -62.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.6 0 CA-C-N 120.138 1.969 . . . . 25.0 113.691 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -64.26 -16.99 63.17 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.675 0.75 . . . . 25.0 110.579 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 5.3 mt-10 -87.6 -47.01 9.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.876 -0.602 . . . . 50.0 111.089 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.661 ' CD2' HG11 ' A' ' 807' ' ' VAL . 1.3 t80 -64.87 -31.48 72.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.914 -1.116 . . . . 25.0 110.399 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -21.91 62.75 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.74 -34.85 22.78 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.59 -49.56 76.12 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' A' ' 771' ' ' PHE . 10.0 mt -60.81 -18.21 54.13 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 115.752 1.76 . . . . 25.0 115.752 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.59 -39.6 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.5 m -76.79 -8.29 57.03 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.379 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.07 -15.72 16.65 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.252 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.93 51.91 2.02 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 118.947 -1.597 . . . . 25.0 111.375 177.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.59 158.07 30.78 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.28 2.696 . . . . 25.0 118.28 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . 0.449 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 30.2 t0 -84.46 10.85 9.75 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.985 1.714 . . . . 25.0 111.967 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.3 171.16 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.21 -0.904 . . . . 25.0 108.625 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.06 -165.39 12.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.651 -0.979 . . . . 25.0 110.651 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -85.61 48.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.351 0.596 . . . . 25.0 110.526 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.33 152.41 54.89 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.68 -21.96 44.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 117.943 -0.905 . . . . 25.0 111.357 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.36 -46.66 59.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.69 -31.22 73.07 Favored Glycine 0 C--O 1.205 -1.657 0 C-N-CA 120.773 -0.727 . . . . 25.0 112.408 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -63.66 -30.25 71.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 118.138 0.969 . . . . 25.0 110.571 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -73.76 -40.6 63.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -71.46 -36.04 71.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.089 -0.959 . . . . 25.0 109.779 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.95 98.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.01 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.2 -0.296 . . . . 25.0 110.2 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -65.99 -43.06 88.89 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.449 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.68 -44.33 89.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.53 43.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.51 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 35.6 t -84.17 -18.42 36.76 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 24.1 pt -95.26 -22.34 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.822 -0.549 . . . . 25.0 111.062 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.568 ' HB ' ' HB1' ' A' ' 811' ' ' ALA . 36.0 m -93.94 19.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -115.7 62.8 2.0 Allowed Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.619 -0.675 . . . . 25.0 109.941 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.65 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.355 0.902 0 CA-C-O 121.642 0.601 . . . . 25.0 112.581 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -98.97 -2.26 37.86 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 106.977 -1.49 . . . . 25.0 106.977 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 53.3 37.42 25.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.11 1.364 . . . . 25.0 114.169 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -10.85 23.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.983 -1.462 . . . . 25.0 110.591 176.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 73.07 24.01 76.64 Favored Glycine 0 N--CA 1.462 0.403 0 CA-C-O 121.754 0.641 . . . . 25.0 113.708 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.28 163.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 1 N-CA-C 100.146 -4.02 . . . . 25.0 100.146 177.255 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.661 HG11 ' CD2' ' A' ' 771' ' ' PHE . 97.7 t -97.97 116.68 41.25 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.31 1 CA-C-O 81.093 -18.575 . . . . 25.0 116.808 -167.612 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 811' ' ' ALA . 0.7 OUTLIER -117.59 178.78 4.27 Favored 'General case' 0 C--N 1.261 -3.281 2 O-C-N 77.812 -28.055 . . . . 25.0 102.146 -160.232 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -48.89 -41.37 33.2 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 115.179 1.548 . . . . 25.0 115.179 176.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -15.5 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.283 0.563 . . . . 25.0 110.24 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -91.56 -39.65 11.79 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.098 -176.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.636 ' CE1' ' HD2' ' A' ' 771' ' ' PHE . 61.9 m-85 -54.25 -32.08 55.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.065 -0.971 . . . . 25.0 112.531 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.623 HG21 ' HE2' ' A' ' 748' ' ' MET . 13.3 mm -57.1 -34.77 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.541 0.686 . . . . 25.0 110.355 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -46.59 -51.6 15.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.695 -1.139 . . . . 25.0 110.247 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.449 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.8 t80 -71.39 -42.62 68.15 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.418 -0.513 . . . . 25.0 111.201 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.479 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -54.62 -33.12 60.0 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.4 t -79.49 -19.87 48.66 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 120.252 -1.53 . . . . 25.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -79.01 -21.6 46.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.0 -4.91 1.15 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.188 1.395 . . . . 25.0 113.091 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 p -76.25 -6.64 52.32 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.49 -0.756 . . . . 25.0 110.156 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -104.91 148.19 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -89.53 157.0 18.26 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -175.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.04 163.74 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.17 -0.923 . . . . 25.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.6 -38.78 78.71 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.656 1.217 . . . . 25.0 109.736 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.0 p -75.4 -18.07 60.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.772 -1.104 . . . . 25.0 112.042 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.59 -19.34 63.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.768 0.318 . . . . 25.0 110.876 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.12 -38.31 79.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.54 -29.61 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 98.8 mtp -64.63 -9.68 21.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.408 0.521 . . . . 25.0 112.408 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.92 63.61 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.641 -0.662 . . . . 25.0 111.325 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -59.16 -26.3 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.313 0.578 . . . . 25.0 111.16 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.98 -23.37 66.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . 0.404 ' HD2' ' CE1' ' A' ' 879' ' ' TYR . 7.4 tptt -72.37 -36.44 68.74 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.187 -0.946 . . . . 25.0 108.823 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.34 -42.53 93.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.24 -46.83 88.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.589 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.67 91.65 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.698 0.761 . . . . 25.0 110.019 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.74 -87.79 1.05 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.739 -0.743 . . . . 25.0 111.775 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.02 -16.83 11.6 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 16.3 ptmt -76.1 154.1 35.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 25.0 110.774 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -81.22 -5.27 57.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.973 1.101 . . . . 25.0 113.973 -176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . 0.437 ' CD1' ' HB1' ' A' ' 876' ' ' ALA . 34.6 p90 -147.18 164.17 34.0 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.7 tp -115.14 148.17 18.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.1 p -88.85 150.98 22.63 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 49.8 mtt -55.18 -30.84 60.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 25.0 111.143 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.43 -37.11 79.96 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.691 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.07 -35.05 78.99 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 109.964 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.78 -42.13 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -75.49 16.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.594 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -107.12 -32.41 7.84 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.1 -28.46 12.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.879 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 857' ' ' ALA . 0.0 OUTLIER -114.24 84.54 9.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.243 -0.28 . . . . 25.0 110.243 176.244 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -63.8 -22.84 69.26 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 C-N-CA 113.452 -3.899 . . . . 25.0 117.148 167.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -81.79 -168.43 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.531 0 N-CA-C 116.139 1.553 . . . . 25.0 116.139 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -26.3 6.42 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.386 1.254 . . . . 25.0 114.386 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -57.06 -31.21 64.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.391 -0.193 . . . . 25.0 110.518 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -64.42 -46.86 81.38 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.477 -0.764 . . . . 25.0 111.349 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.42 -30.96 57.64 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 119.909 -0.716 . . . . 25.0 112.773 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -51.6 60.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 170.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.25 -42.51 93.23 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.993 -0.549 . . . . 25.0 110.983 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.4 -40.35 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 122.746 0.419 . . . . 25.0 110.389 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.65 96.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.181 0.515 . . . . 25.0 111.676 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -77.8 -18.06 56.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.905 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.581 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.3 ttm -72.82 147.97 44.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.601 1.334 . . . . 25.0 114.601 -175.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -70.14 139.85 87.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.993 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.29 92.89 1.1 Allowed 'Trans proline' 0 C--O 1.234 0.301 1 C-N-CA 125.97 4.446 . . . . 25.0 114.614 -175.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.318 -0.778 0 CA-C-O 122.414 1.102 . . . . 25.0 113.794 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 112.033 -0.427 . . . . 25.0 112.033 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 842' ' ' TYR . . . -112.86 136.64 52.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.94 -1.134 . . . . 25.0 107.94 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.93 154.3 44.98 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.446 ' HB2' ' CE1' ' A' ' 867' ' ' TYR . 18.5 t0 -87.74 108.84 19.31 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.467 0.651 . . . . 25.0 111.874 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' A' ' 834' ' ' LYS . 33.0 p90 -64.27 -34.83 79.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.705 -1.134 . . . . 25.0 112.276 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -98.67 -19.28 17.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.2 t -108.84 18.91 20.24 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.004 0.431 . . . . 25.0 110.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.581 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 122.23 1.014 . . . . 25.0 113.568 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.23 147.81 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . 0.53 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 7.4 t -97.54 167.02 11.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.344 0.592 . . . . 25.0 110.477 176.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -30.14 71.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 25.0 109.748 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -75.95 -40.85 53.15 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -59.66 -40.78 88.87 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.822 0.344 . . . . 25.0 110.617 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . 0.416 ' HE2' HG21 ' A' ' 813' ' ' ILE . 5.1 ptp -74.21 -21.41 59.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.91 -30.47 26.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.359 0.503 . . . . 25.0 112.359 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.47 -39.51 18.83 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.49 -0.756 . . . . 25.0 109.701 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.4 t80 -67.87 -25.48 65.54 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.304 0.853 . . . . 25.0 113.304 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -19.65 46.79 Favored 'General case' 0 C--O 1.198 -1.622 0 O-C-N 121.474 -0.767 . . . . 25.0 110.181 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.56 60.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.188 0.904 . . . . 25.0 110.046 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.6 t -62.14 -15.77 48.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.257 0.551 . . . . 25.0 109.869 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -24.05 54.59 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -108.81 -6.08 15.99 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 120.746 0.308 . . . . 25.0 110.846 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -70.93 -54.43 11.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.559 0.577 . . . . 25.0 112.559 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . 0.42 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 3.4 m-85 -103.19 4.2 36.55 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 14.9 t0 -56.09 100.8 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.935 1.35 . . . . 50.0 112.171 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 63.5 ttt180 -60.48 -33.76 73.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 112.771 -2.013 . . . . 25.0 112.998 -171.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -115.62 1.49 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 50.0 109.634 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . 0.256 31.8 p-80 51.72 33.21 10.61 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.533 1.679 . . . . 25.0 115.533 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 55.1 p -64.62 -17.27 63.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.867 0.867 . . . . 25.0 112.594 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 98.85 11.47 46.56 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 108.346 -1.901 . . . . 25.0 108.346 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.34 138.91 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.3 mm? -89.13 125.54 35.08 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.11 -167.74 38.56 Favored Glycine 0 C--O 1.194 -2.396 0 N-CA-C 109.054 -1.619 . . . . 25.0 109.054 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -61.11 -60.98 0.19 Allowed 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-N 120.921 2.361 . . . . 25.0 114.192 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -16.82 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.927 0.87 . . . . 25.0 110.394 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 13.7 mt-10 -87.84 -45.66 10.1 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.931 -0.577 . . . . 50.0 109.853 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.472 ' CG ' HG21 ' A' ' 807' ' ' VAL . 28.6 t80 -58.13 -41.19 83.12 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 25.0 111.447 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -25.27 68.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.2 -33.63 22.22 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 43.4 t -62.32 -46.31 89.31 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 122.035 0.921 . . . . 25.0 108.936 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.3 -19.03 53.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 116.422 2.008 . . . . 25.0 116.422 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.97 -38.98 83.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 48.8 m -77.54 -9.19 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.01 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.06 -15.31 19.07 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.797 -0.446 . . . . 25.0 109.797 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.89 51.27 3.65 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 118.458 -1.829 . . . . 25.0 110.165 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.2 164.81 4.94 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.648 2.092 . . . . 25.0 116.648 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.0 17.71 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.853 0.835 . . . . 25.0 111.173 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.18 175.12 11.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 114.842 -1.072 . . . . 25.0 108.864 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -152.41 -173.73 22.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 105.321 -3.111 . . . . 25.0 105.321 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 7.62 13.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.285 1.042 . . . . 25.0 110.136 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.38 153.49 76.0 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.083 -0.962 . . . . 25.0 108.594 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.82 -23.89 41.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 116.599 -1.801 . . . . 25.0 112.055 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -50.01 41.0 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.92 89.19 Favored Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.396 -0.907 . . . . 25.0 114.265 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 118.311 1.055 . . . . 25.0 110.445 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.37 -40.86 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.73 -34.38 69.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.549 -0.751 . . . . 25.0 110.028 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . 0.411 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.91 -44.13 97.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 175.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.81 72.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.689 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -60.86 -42.11 97.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.6 mt -72.06 -40.49 67.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -28.57 24.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.512 . . . . 25.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.86 -33.19 52.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.619 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.4 pt -84.19 -23.75 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.589 -0.694 . . . . 25.0 111.632 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 807' ' ' VAL . 30.7 m -91.6 20.26 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.909 0.861 . . . . 25.0 110.207 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -122.83 61.1 15.97 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.459 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -1.98 8.5 Favored 'Trans proline' 0 C--N 1.348 0.509 0 N-CA-C 114.867 1.064 . . . . 25.0 114.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.23 -3.32 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 39.52 20.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.238 1.015 . . . . 25.0 112.287 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.513 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.06 -8.34 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.09 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.36 23.39 63.07 Favored Glycine 0 N--CA 1.459 0.226 0 C-N-CA 121.217 -0.516 . . . . 25.0 113.947 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.513 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.58 153.03 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 -178.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 799' ' ' VAL . 48.7 t -97.44 127.09 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.255 0.55 . . . . 25.0 110.239 -175.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 169.91 8.35 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.575 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -49.12 -45.37 43.43 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.327 1.232 . . . . 25.0 114.327 179.611 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.59 -18.91 62.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 25.0 110.384 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.96 20.04 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.67 -0.696 . . . . 25.0 110.972 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.445 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.3 m-85 -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 25.0 112.065 -179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.416 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.6 mm -62.45 -31.29 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.42 0.629 . . . . 25.0 110.381 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -44.63 -54.04 6.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.391 -1.277 . . . . 25.0 109.51 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . 0.441 ' HA ' ' HG3' ' A' ' 818' ' ' ARG . 2.1 t80 -72.54 -42.03 65.15 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.655 -0.418 . . . . 25.0 111.996 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -29.29 35.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.534 1.679 . . . . 25.0 115.534 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 37.4 t -84.63 -20.07 31.96 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.379 -1.451 . . . . 25.0 111.142 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . 0.441 ' HG3' ' HA ' ' A' ' 815' ' ' PHE . 5.2 mtm105 -71.97 -21.74 61.54 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.376 0.608 . . . . 25.0 109.914 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.564 ' HB3' HE22 ' A' ' 856' ' ' GLN . 2.8 tp10 -49.75 -22.79 1.51 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.367 1.867 . . . . 25.0 114.113 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.8 p -72.32 -2.13 17.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -105.16 158.82 16.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.886 0.475 . . . . 25.0 111.182 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -71.46 141.35 50.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.48 158.96 43.22 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.63 -0.259 . . . . 25.0 111.326 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.64 -46.48 72.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.381 1.086 . . . . 25.0 109.775 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.8 p -64.15 -21.81 66.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.666 -1.152 . . . . 25.0 112.016 177.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.467 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -55.68 -25.53 40.17 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.95 1.093 . . . . 25.0 113.95 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.77 -33.13 72.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.748 0.785 . . . . 25.0 110.622 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -74.56 -37.69 62.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.857 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 826' ' ' ALA . 12.6 p -80.87 -36.34 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.314 -0.555 . . . . 25.0 111.123 -175.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.6 ppp? -66.86 -13.18 61.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.232 0.539 . . . . 25.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.28 -19.56 47.08 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.8 p -56.0 -28.93 59.35 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 122.855 0.462 . . . . 25.0 112.041 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.25 -27.13 68.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.412 0.551 . . . . 25.0 111.7 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -36.02 69.73 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.33 -39.05 63.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.815 -1.55 . . . . 25.0 106.815 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.92 92.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.122 -0.945 . . . . 25.0 111.325 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.93 73.94 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.745 0.783 . . . . 25.0 109.282 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.83 -86.32 1.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.346 -0.702 . . . . 25.0 111.346 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -114.98 -21.76 9.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 14.4 ptmt -73.69 155.78 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 25.0 110.294 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -85.53 -5.1 59.32 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -140.89 162.72 34.79 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 106.774 -1.565 . . . . 25.0 106.774 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . 0.496 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.3 tp -116.65 149.42 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 63.4 p -89.32 155.76 19.15 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.3 mtt -57.37 -34.28 68.68 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.281 -0.872 . . . . 25.0 112.159 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.496 ' HB2' HG13 ' A' ' 843' ' ' ILE . 15.8 mt-10 -72.52 -36.03 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.168 -0.333 . . . . 25.0 110.651 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.27 -41.4 81.1 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.93 31.74 0.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.329 0.651 . . . . 25.0 111.128 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 847' ' ' GLU . 0.5 OUTLIER -129.16 -32.7 2.01 Favored 'General case' 0 CA--C 1.49 -1.351 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 -176.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.504 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.3 pt-20 -101.79 -22.34 14.4 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.174 -1.376 . . . . 25.0 108.546 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.504 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.8 mt -122.12 86.79 47.26 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.044 0.537 . . . . 25.0 111.951 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.61 -25.05 69.49 Favored 'Trans proline' 0 CA--C 1.577 2.662 0 C-N-CA 114.172 -3.419 . . . . 25.0 117.652 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.53 ' HB3' ' H ' ' A' ' 744' ' ' SER . 56.2 Cg_endo -77.25 -170.77 0.99 Allowed 'Trans proline' 0 C--N 1.364 1.367 0 N-CA-C 115.639 1.361 . . . . 25.0 115.639 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.45 0.42 5.21 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . 0.564 HE22 ' HB3' ' A' ' 819' ' ' GLU . 18.8 mm-40 -61.1 -30.37 70.31 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.439 -2.06 . . . . 25.0 105.439 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.82 68.57 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.894 -0.504 . . . . 25.0 111.527 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -35.95 81.74 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.21 -0.596 . . . . 25.0 110.428 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -52.78 63.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.6 m -62.87 -43.24 99.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.132 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.79 -40.25 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.778 0.431 . . . . 25.0 110.56 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -9.0 58.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.074 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.9 ttm -80.68 152.43 28.43 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.458 -0.776 . . . . 25.0 112.838 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -75.89 143.35 74.33 Favored Pre-proline 0 C--O 1.215 -0.712 0 O-C-N 122.024 -0.423 . . . . 25.0 111.596 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.86 93.0 1.11 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 125.232 3.955 . . . . 25.0 115.103 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.401 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.1 m-85 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 122.312 1.053 . . . . 25.0 113.194 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.797 0 N-CA-C 107.978 -2.049 . . . . 25.0 107.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.82 136.6 52.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -141.73 149.68 40.82 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.419 0.155 . . . . 25.0 111.419 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 25.3 t0 -86.97 110.4 20.01 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.759 -0.588 . . . . 25.0 110.872 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -67.23 -37.43 83.55 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.253 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.12 -31.82 17.81 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.097 1.147 . . . . 25.0 114.097 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.7 t -99.69 20.11 14.66 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.04 0.447 . . . . 25.0 110.656 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.8 p90 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 122.341 1.067 . . . . 25.0 110.379 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 743' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -66.26 143.17 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.978 -1.01 . . . . 25.0 108.537 176.362 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 41.8 m -88.01 160.2 17.97 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.725 -0.61 . . . . 25.0 110.204 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.17 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.699 -0.682 . . . . 25.0 110.641 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -82.85 -39.65 21.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 119.585 -0.245 . . . . 25.0 110.621 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 747' ' ' GLN . . . . . 0.46 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.7 tp60 -57.64 -41.11 80.74 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.346 0.593 . . . . 25.0 110.138 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -74.35 -21.05 59.87 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.706 -0.621 . . . . 25.0 109.336 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -33.39 23.48 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.946 -0.302 . . . . 25.0 111.132 -175.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -81.97 -36.92 27.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 751' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 33.6 t80 -69.94 -27.22 64.57 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 752' ' ' ARG . . . . . 0.673 ' O ' ' HB3' ' A' ' 755' ' ' PHE . 5.7 ppt_? -66.11 -12.72 57.49 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.62 -18.78 61.56 Favored 'General case' 0 CA--C 1.473 -2.011 0 O-C-N 118.831 -2.418 . . . . 25.0 110.781 173.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -19.78 65.93 Favored 'General case' 1 C--O 1.061 -8.848 0 N-CA-C 117.016 2.228 . . . . 25.0 117.016 177.193 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 755' ' ' PHE . . . . . 0.673 ' HB3' ' O ' ' A' ' 752' ' ' ARG 0.322 0.0 OUTLIER -43.24 -37.35 2.12 Favored 'General case' 0 C--O 1.286 3.025 0 C-N-CA 129.054 2.942 . . . . 25.0 112.714 163.764 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -112.01 -15.34 13.31 Favored 'General case' 0 C--N 1.264 -3.131 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -65.3 -54.15 33.41 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.28 2.97 40.36 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.352 0.407 . . . . 25.0 111.48 -177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -55.8 104.62 0.14 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.173 0.987 . . . . 50.0 112.717 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 760' ' ' ARG . . . . . 0.498 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 22.6 ttt-85 -55.36 -31.91 62.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.188 -1.824 . . . . 25.0 113.105 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -120.51 -1.91 10.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.422 -0.353 . . . . 50.0 111.145 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 60.95 33.91 19.65 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 71.9 p -73.14 -11.6 60.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 123.685 0.794 . . . . 25.0 112.728 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.56 17.27 55.27 Favored Glycine 0 C--O 1.195 -2.292 0 N-CA-C 104.973 -3.251 . . . . 25.0 104.973 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -158.26 137.8 11.9 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.72 124.89 42.24 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.76 -166.12 38.45 Favored Glycine 0 C--O 1.196 -2.24 0 N-CA-C 109.242 -1.543 . . . . 25.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -61.82 -59.74 0.26 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.843 2.322 . . . . 25.0 115.038 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -17.01 63.91 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.418 1.104 . . . . 25.0 110.046 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.498 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.4 mt-10 -86.27 -47.77 9.12 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' PHE . . . . . 0.532 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.1 t80 -57.92 -41.42 82.67 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 123.666 0.786 . . . . 25.0 112.037 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -23.54 67.27 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.688 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.36 21.04 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.39 -46.37 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.108 0.956 . . . . 25.0 108.744 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 13.4 mt -62.04 -18.78 61.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 116.546 2.054 . . . . 25.0 116.546 -177.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.69 -40.71 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 37.5 m -77.92 -5.85 52.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.376 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.433 HD12 ' HE2' ' A' ' 816' ' ' MET . 4.5 mm? -107.72 -6.48 16.8 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.774 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.63 50.97 4.48 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 118.711 -1.709 . . . . 25.0 112.68 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.1 162.96 18.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 116.942 2.201 . . . . 25.0 116.942 -179.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -98.92 15.91 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.639 -175.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.26 174.99 12.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.204 -0.907 . . . . 25.0 109.783 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -164.95 -164.28 19.97 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 104.854 -3.299 . . . . 25.0 104.854 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -86.2 18.23 3.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.48 1.14 . . . . 25.0 109.006 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.75 152.53 96.24 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 114.846 -1.07 . . . . 25.0 109.692 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.79 -20.64 58.75 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 117.646 -1.103 . . . . 25.0 113.283 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -86.12 -47.51 9.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.152 0.501 . . . . 25.0 109.652 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -69.76 -27.67 72.97 Favored Glycine 0 C--O 1.207 -1.564 0 C-N-CA 120.374 -0.917 . . . . 25.0 115.116 -175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.5 -28.19 69.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 1.481 . . . . 25.0 110.552 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.18 -41.17 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -70.39 -38.6 74.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -49.06 75.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 176.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.77 76.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 25.0 111.679 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -63.09 -40.5 97.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.7 mt -70.03 -43.03 79.56 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 N-CA-C 108.295 -1.002 . . . . 25.0 108.295 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -23.71 29.84 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.13 0.491 . . . . 25.0 110.855 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.9 t -81.14 -26.51 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.407 . . . . 25.0 112.048 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.9 pt -94.02 -24.94 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' VAL . . . . . 0.45 HG23 HG22 ' A' ' 807' ' ' VAL . 35.9 m -87.38 24.0 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.558 1.171 . . . . 25.0 109.533 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.34 60.1 28.37 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.946 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.77 1.67 4.87 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 115.087 1.149 . . . . 25.0 115.087 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -114.34 -4.7 12.96 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 53.14 40.86 31.92 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.506 1.122 . . . . 25.0 113.673 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 806' ' ' VAL . 0.1 OUTLIER -98.23 -11.23 22.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.14 -0.936 . . . . 25.0 109.899 178.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.73 22.73 49.03 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.202 -0.454 . . . . 25.0 112.88 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' VAL . . . . . 0.428 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -145.06 153.29 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 122.945 0.498 . . . . 25.0 110.117 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' VAL . . . . . 0.532 HG21 ' CG ' ' A' ' 771' ' ' PHE . 46.9 t -91.62 129.24 42.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.425 0.631 . . . . 25.0 109.554 -177.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.59 164.5 12.66 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.42 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' PHE . . . . . 0.503 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.2 OUTLIER -47.27 -44.33 22.99 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 -179.305 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -18.83 61.63 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 122.023 0.916 . . . . 25.0 110.841 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.24 -38.81 15.99 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 114.73 -1.123 . . . . 25.0 111.338 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' PHE . . . . . 0.52 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 71.8 m-85 -52.8 -37.34 59.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 122.766 1.27 . . . . 25.0 111.413 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.3 mm -63.32 -32.36 56.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 114.018 -1.446 . . . . 25.0 111.823 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.44 -46.02 62.84 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.14 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -71.44 -44.43 64.84 Favored 'General case' 0 C--O 1.201 -1.463 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.433 ' HE2' HD12 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.9 -21.85 65.08 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 17.9 t -80.94 -19.53 43.98 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 120.495 -1.378 . . . . 25.0 109.08 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -72.79 -21.43 60.99 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.019 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.42 -20.26 7.15 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.233 0.958 . . . . 25.0 111.709 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 45.1 p -63.94 -13.31 44.87 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.927 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.7 125.97 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.95 152.32 40.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.6 158.4 44.52 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.963 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.46 -44.67 89.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.635 1.207 . . . . 25.0 109.984 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 14.0 p -72.62 -15.93 61.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.528 -1.214 . . . . 25.0 113.369 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.408 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -63.31 -23.37 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -175.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.86 -33.54 71.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.728 0.775 . . . . 25.0 110.148 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -70.53 -40.49 73.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.548 . . . . 25.0 111.921 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 826' ' ' ALA . 8.3 p -77.12 -34.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.1 mtm -63.85 -14.14 50.7 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.81 -19.4 4.3 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.14 -0.35 . . . . 25.0 111.47 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -52.77 -29.6 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.165 0.586 . . . . 25.0 112.431 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -23.55 66.14 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.221 0.919 . . . . 25.0 112.569 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -37.59 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.97 -1.081 . . . . 25.0 108.839 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.77 -42.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.52 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.851 0.834 . . . . 25.0 109.074 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 75.82 -90.27 0.87 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.669 -0.776 . . . . 25.0 112.307 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -114.97 -1.01 13.21 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -174.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 17.8 ptmt -94.46 157.74 15.87 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.744 -0.598 . . . . 25.0 109.921 -177.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -91.4 0.39 57.52 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.53 162.45 36.56 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 105.509 -2.034 . . . . 25.0 105.509 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.9 tp -114.91 149.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.0 p -89.85 151.64 21.66 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.6 mtt -55.19 -34.37 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.094 0.473 . . . . 25.0 109.792 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.25 -22.22 61.27 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.4 -32.59 60.82 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.782 -0.574 . . . . 25.0 109.501 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 59.3 mt -71.64 -39.25 70.5 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -79.75 33.95 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.811 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -124.27 -32.4 3.19 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.501 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 24.4 pt-20 -108.69 -18.97 13.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.763 -1.562 . . . . 25.0 108.283 177.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' LEU . . . . . 0.501 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.7 mt -121.74 81.0 40.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.051 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.97 -23.56 74.09 Favored 'Trans proline' 0 CA--C 1.581 2.843 0 C-N-CA 113.426 -3.916 . . . . 25.0 117.765 167.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 58.5 Cg_endo -79.9 -170.03 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 118.153 2.328 . . . . 25.0 118.153 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.41 -25.51 6.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.68 1.192 . . . . 25.0 112.383 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.61 -30.92 65.72 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.718 -0.614 . . . . 25.0 112.222 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -63.39 -48.55 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.264 -0.574 . . . . 25.0 110.148 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.17 -34.48 73.04 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 120.123 -0.631 . . . . 25.0 111.325 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.02 68.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.802 -0.636 . . . . 25.0 109.334 173.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.6 m -63.87 -44.11 94.09 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.445 -0.343 . . . . 25.0 110.867 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.27 -41.75 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.874 0.47 . . . . 25.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.97 92.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.412 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -10.15 57.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.513 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.1 ttm -80.16 151.88 29.51 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.845 -0.534 . . . . 25.0 111.535 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -74.27 140.17 76.09 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.743 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.85 94.88 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 125.261 3.974 . . . . 25.0 114.9 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.3 m-85 . . . . . 0 C--N 1.318 -0.784 0 CA-C-O 121.966 0.888 . . . . 25.0 113.071 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.545 0 N-CA-C 111.958 -0.457 . . . . 25.0 111.958 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.92 140.37 47.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.8 mt -141.96 153.42 44.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.976 0.362 . . . . 25.0 111.976 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 878' ' ' ASP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 28.9 t0 -90.07 107.12 18.93 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.689 0.756 . . . . 25.0 110.349 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -68.0 -35.44 78.31 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.28 -1.327 . . . . 25.0 111.509 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -92.26 -20.82 20.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.1 t -109.54 20.49 18.11 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.03 0.443 . . . . 25.0 110.0 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 882' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 115.051 1.501 . . . . 25.0 115.051 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.851 0 CA-C-O 119.569 -0.573 . . . . 25.0 112.653 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 74.5 p -144.77 22.89 1.6 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.024 0.912 . . . . 25.0 110.881 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 18.2 m 55.31 -140.06 0.94 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.517 0.727 . . . . 25.0 111.857 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.04 145.17 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-O 121.959 0.885 . . . . 25.0 112.236 -176.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.462 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 31.0 t -90.73 158.07 17.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.607 -0.724 . . . . 25.0 109.889 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -26.63 68.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.744 -0.662 . . . . 25.0 109.578 174.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -81.93 -37.82 26.2 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 110.008 -0.367 . . . . 25.0 110.008 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.469 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 37.7 tp60 -60.56 -41.27 94.24 Favored 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 120.833 -0.347 . . . . 25.0 110.627 176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.425 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.8 ptp -73.42 -21.12 60.56 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.749 -0.78 . . . . 25.0 109.184 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.29 -35.03 31.59 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.67 -0.412 . . . . 25.0 111.63 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -84.27 -34.45 23.81 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.387 -0.525 . . . . 25.0 109.86 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.1 t80 -72.79 -22.74 60.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.411 -0.806 . . . . 25.0 112.903 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -63.28 -20.17 65.23 Favored 'General case' 0 C--O 1.204 -1.341 0 O-C-N 121.147 -0.971 . . . . 25.0 109.056 173.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.91 -21.95 62.32 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 118.723 0.692 . . . . 25.0 109.966 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.0 t -63.92 -13.26 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.091 -0.381 . . . . 25.0 111.061 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -23.61 49.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.212 1.19 . . . . 25.0 114.212 172.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -3.79 12.48 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 120.862 0.363 . . . . 25.0 111.249 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -69.71 -54.93 11.47 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.972 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.427 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.12 2.84 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.157 0.429 . . . . 25.0 112.157 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 15.1 t0 -54.88 104.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.868 0.842 . . . . 50.0 112.773 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.525 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -55.59 -36.24 66.67 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 113.986 -1.461 . . . . 25.0 112.568 -173.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -115.59 -3.51 12.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.211 -0.45 . . . . 50.0 111.438 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 61.47 31.96 18.93 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 114.634 1.346 . . . . 25.0 114.634 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 64.7 p -69.58 -11.86 61.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.56 15.48 59.98 Favored Glycine 0 CA--C 1.509 -0.294 0 N-CA-C 108.727 -1.749 . . . . 25.0 108.727 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.42 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.247 -0.976 . . . . 25.0 108.42 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -94.91 124.76 39.14 Favored 'General case' 0 C--O 1.197 -1.687 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.08 -163.58 30.66 Favored Glycine 0 C--O 1.201 -1.922 0 N-CA-C 109.66 -1.376 . . . . 25.0 109.66 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -62.6 -60.57 0.18 Allowed 'Trans proline' 0 CA--C 1.538 0.691 0 CA-C-N 120.642 2.221 . . . . 25.0 114.831 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -68.64 -19.05 64.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.422 1.106 . . . . 25.0 109.614 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.525 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 10.7 mt-10 -83.26 -46.71 12.34 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.528 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.3 t80 -60.23 -41.6 93.43 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 123.215 0.606 . . . . 25.0 111.263 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -23.78 66.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.751 -0.659 . . . . 25.0 109.905 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.26 -34.02 23.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.1 t -62.99 -45.02 94.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.976 0.893 . . . . 25.0 109.329 176.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.97 -18.85 59.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 115.798 1.777 . . . . 25.0 115.798 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.84 -38.58 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.0 m -78.52 -4.99 51.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.918 -0.583 . . . . 25.0 112.501 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.9 -13.55 15.77 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 83.22 52.41 3.8 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 118.569 -1.777 . . . . 25.0 111.122 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.09 162.87 5.3 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 116.799 2.148 . . . . 25.0 116.799 178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -91.69 12.74 20.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.871 0.868 . . . . 25.0 110.942 -176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 169.08 20.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.34 -171.15 18.37 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.263 -0.97 . . . . 25.0 111.209 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -84.63 55.13 3.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.613 0.72 . . . . 25.0 109.39 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.46 162.31 53.59 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.04 -14.58 26.16 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 117.741 -1.039 . . . . 25.0 114.169 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -87.0 -44.63 11.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.502 -1.296 . . . . 25.0 107.502 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.5 73.82 Favored Glycine 0 C--O 1.204 -1.775 0 C-N-CA 120.369 -0.919 . . . . 25.0 112.688 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.03 -25.88 66.49 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 118.493 1.146 . . . . 25.0 110.767 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.91 -39.35 51.18 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -72.48 -34.62 67.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.641 -0.709 . . . . 25.0 110.418 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -41.64 94.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.463 -1.31 . . . . 25.0 107.463 174.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.13 -31.32 69.92 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 120.594 -0.442 . . . . 25.0 111.967 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -61.06 -40.54 94.02 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.0 -41.11 59.83 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.083 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -25.77 35.15 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.391 0.615 . . . . 25.0 110.98 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -78.66 -30.3 46.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.668 -0.696 . . . . 25.0 111.975 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.08 -23.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 121.826 -0.546 . . . . 25.0 111.92 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.552 HG23 HG22 ' A' ' 807' ' ' VAL . 32.5 m -92.59 23.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 122.324 1.059 . . . . 25.0 109.827 177.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -121.7 61.16 11.98 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 114.585 -1.188 . . . . 25.0 109.101 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.62 -8.02 22.51 Favored 'Trans proline' 0 C--N 1.35 0.642 0 N-CA-C 114.495 0.921 . . . . 25.0 114.495 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.55 -2.8 19.98 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.099 -0.704 . . . . 25.0 109.099 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 56.46 41.43 28.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.899 0.88 . . . . 25.0 113.248 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.435 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.14 -7.88 16.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.625 -1.171 . . . . 25.0 110.799 177.234 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.96 23.56 63.63 Favored Glycine 0 N--CA 1.458 0.145 0 C-N-CA 121.117 -0.563 . . . . 25.0 113.645 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.435 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.27 154.26 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.645 -0.872 . . . . 25.0 108.645 -179.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.552 HG22 HG23 ' A' ' 799' ' ' VAL . 48.6 t -93.7 125.66 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 CA-C-O 121.304 0.573 . . . . 25.0 109.636 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.2 p -105.94 168.61 9.0 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-N 115.39 -0.823 . . . . 25.0 111.904 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.442 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -50.64 -44.17 57.33 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 177.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -74.01 -17.42 60.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.079 0.466 . . . . 25.0 110.157 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.45 -37.1 20.14 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.913 -0.585 . . . . 25.0 111.246 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.445 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 65.4 m-85 -59.41 -33.9 71.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.151 0.5 . . . . 25.0 111.828 -177.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.425 HG21 ' HE2' ' A' ' 748' ' ' MET . 10.4 mm -62.65 -32.2 54.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 CA-C-O 121.82 0.819 . . . . 25.0 110.231 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -49.97 -42.1 48.08 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.472 -1.24 . . . . 25.0 110.996 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -78.12 -43.58 28.5 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 120.819 -0.352 . . . . 25.0 111.046 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -31.43 43.36 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 42.6 t -77.79 -19.72 54.53 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 120.406 -1.434 . . . . 25.0 111.132 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -74.67 -21.47 59.39 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.931 -0.396 . . . . 25.0 109.931 177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.21 -19.07 2.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.703 1.201 . . . . 25.0 111.969 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.2 p -73.3 5.94 3.24 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.529 0.937 . . . . 25.0 113.529 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -120.57 153.78 36.3 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.129 0.572 . . . . 25.0 110.532 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.05 151.63 42.5 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.432 1.271 . . . . 25.0 114.432 -177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.25 171.28 16.2 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.712 174.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -87.34 -35.47 18.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.967 0.889 . . . . 25.0 110.417 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.7 p -66.32 -18.49 65.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.985 -1.007 . . . . 25.0 110.316 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -55.98 -22.24 25.61 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -178.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.69 -36.3 76.22 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.906 0.86 . . . . 25.0 110.522 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -68.57 -41.96 78.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.779 -0.646 . . . . 25.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' A' ' 826' ' ' ALA . 8.8 p -76.32 -33.68 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.175 -0.61 . . . . 25.0 109.37 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 93.1 mtp -66.23 -20.78 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.896 -0.503 . . . . 25.0 112.247 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.77 -23.78 65.26 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.986 -0.446 . . . . 25.0 111.011 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 95.4 p -60.28 -26.56 66.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.705 0.631 . . . . 25.0 112.705 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.06 -26.53 68.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 118.206 0.457 . . . . 25.0 111.472 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.29 -35.59 68.75 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.626 -0.672 . . . . 25.0 109.916 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -71.95 -40.32 67.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -43.5 97.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.681 -0.691 . . . . 25.0 110.791 178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.05 -42.1 76.75 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.571 0.7 . . . . 25.0 109.871 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.11 -88.5 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.588 -0.605 . . . . 25.0 111.588 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -114.83 -18.59 11.29 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.461 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.1 ptmt -76.73 155.98 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.925 -0.398 . . . . 25.0 109.925 -172.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -90.09 0.24 57.25 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -144.05 160.31 41.1 Favored 'General case' 0 C--O 1.211 -0.966 0 N-CA-C 104.92 -2.252 . . . . 25.0 104.92 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -113.88 149.97 16.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 105.733 -1.951 . . . . 25.0 105.733 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.4 p -88.6 154.91 19.94 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 106.454 -1.684 . . . . 25.0 106.454 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.56 -32.56 69.02 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -66.61 -32.93 74.57 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.993 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.98 -37.49 69.88 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.925 -0.484 . . . . 25.0 110.67 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.08 -37.95 84.88 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -82.46 32.38 0.4 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.823 -0.626 . . . . 25.0 110.84 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -124.81 -38.55 2.35 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 106.471 -1.678 . . . . 25.0 106.471 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.539 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -94.42 -20.45 19.7 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.28 -1.327 . . . . 25.0 108.613 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.539 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.4 mt -124.1 85.56 54.64 Favored Pre-proline 0 CA--C 1.545 0.782 0 N-CA-C 112.314 0.487 . . . . 25.0 112.314 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -54.62 -33.17 78.23 Favored 'Trans proline' 0 CA--C 1.58 2.779 0 N-CA-C 118.491 2.458 . . . . 25.0 118.491 165.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.469 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 46.7 Cg_endo -81.62 -167.55 0.51 Allowed 'Trans proline' 0 C--N 1.364 1.355 0 N-CA-C 117.262 1.985 . . . . 25.0 117.262 -174.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.43 -23.01 22.84 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -58.92 -29.86 67.4 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.38 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 852' ' ' LEU . . . -64.47 -47.93 77.13 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 121.37 -0.832 . . . . 25.0 111.727 175.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.41 -34.78 72.9 Favored 'General case' 0 CA--C 1.512 -0.518 0 C-N-CA 120.185 -0.606 . . . . 25.0 111.298 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -50.54 72.55 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 173.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -63.13 -44.35 95.8 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.824 -0.171 . . . . 25.0 110.638 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.3 mt -60.57 -41.42 87.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.793 0.33 . . . . 25.0 110.494 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.14 99.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -83.99 -12.65 54.95 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.813 0.301 . . . . 25.0 111.813 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.475 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.9 ttm -77.74 151.64 34.01 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.877 -0.514 . . . . 25.0 110.924 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.63 129.28 94.11 Favored Pre-proline 0 C--O 1.223 -0.312 0 C-N-CA 120.361 -0.536 . . . . 25.0 110.153 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.43 87.13 1.26 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.397 2.065 . . . . 25.0 114.762 -175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -89.49 98.48 11.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.585 -1.265 . . . . 25.0 107.585 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 45.4 p -144.54 161.47 39.01 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 145.13 -178.54 22.84 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 106.65 -2.58 . . . . 25.0 106.65 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -74.04 -25.01 14.42 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 CA-C-N 119.595 1.697 . . . . 25.0 113.639 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -83.27 -12.27 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.188 0.994 . . . . 25.0 108.381 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 26.1 m -100.13 165.67 11.39 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.165 -1.38 . . . . 25.0 108.172 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.07 155.19 38.51 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.99 121.29 8.14 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 116.533 -1.845 . . . . 25.0 111.046 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 82.46 53.87 3.48 Favored Glycine 0 C--O 1.222 -0.624 0 C-N-CA 120.792 -0.718 . . . . 25.0 114.881 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.57 142.74 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -142.01 146.85 36.01 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 122.432 0.293 . . . . 25.0 110.903 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.32 109.17 18.8 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.488 -0.758 . . . . 25.0 111.411 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.96 -38.27 88.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.225 -0.898 . . . . 25.0 110.872 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.28 -29.04 19.48 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.692 0.997 . . . . 25.0 113.692 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -98.93 18.44 17.17 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.943 0.401 . . . . 25.0 110.715 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.475 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 10.9 p90 -48.36 159.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 115.367 1.617 . . . . 25.0 115.367 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.0 t -78.26 115.35 17.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.613 -0.721 . . . . 25.0 111.676 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 61.6 p -79.18 -2.47 41.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.657 -0.702 . . . . 25.0 109.495 174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -107.06 19.36 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 123.42 0.688 . . . . 25.0 110.037 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.9 mp 61.98 -172.06 0.15 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.557 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -36.82 85.5 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.466 1.654 . . . . 25.0 115.466 -174.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -160.43 26.79 0.31 Allowed Glycine 0 C--O 1.224 -0.526 0 C-N-CA 119.801 -1.19 . . . . 25.0 114.785 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -93.82 51.87 1.6 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.98 0.895 . . . . 25.0 109.829 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.0 m -147.97 164.84 32.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.634 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 53.64 44.66 29.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.036 0.935 . . . . 25.0 112.485 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 C--O 1.251 1.153 0 CA-C-N 114.823 -1.081 . . . . 25.0 109.626 178.78 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.529 0 N-CA-C 110.797 -0.921 . . . . 25.0 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 25.3 p -95.6 -142.05 0.26 Allowed 'General case' 0 C--N 1.323 -0.551 1 N-CA-C 98.191 -4.744 . . . . 25.0 98.191 160.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 4.4 p -66.1 -28.17 68.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.949 0.88 . . . . 25.0 109.645 170.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.87 148.58 10.57 Favored 'Isoleucine or valine' 0 C--O 1.248 1.021 0 CA-C-O 122.018 0.913 . . . . 25.0 111.504 177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 47.4 t -96.78 164.62 12.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.401 -0.818 . . . . 25.0 109.705 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -29.14 67.13 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.231 -0.655 . . . . 25.0 109.231 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -77.95 -39.63 42.0 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 109.356 -0.609 . . . . 25.0 109.356 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.414 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.6 tp60 -59.49 -41.42 89.81 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.337 0.398 . . . . 25.0 110.615 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.476 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.4 ptp -74.04 -21.16 60.06 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 119.956 -0.698 . . . . 25.0 109.192 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.35 -34.99 31.42 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.95 -0.3 . . . . 25.0 111.642 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -84.34 -35.43 23.25 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.495 -0.482 . . . . 25.0 109.826 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 73.5 t80 -72.88 -22.02 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.21 0.819 . . . . 25.0 113.21 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.1 ppt_? -62.92 -19.55 64.34 Favored 'General case' 0 C--O 1.201 -1.478 0 O-C-N 121.195 -0.94 . . . . 25.0 108.65 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.48 -23.43 63.64 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.039 0.836 . . . . 25.0 110.283 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.6 t -63.75 -13.71 46.15 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.975 0.417 . . . . 25.0 110.935 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -23.7 47.3 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.001 1.111 . . . . 25.0 114.001 172.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.13 -2.22 12.26 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 120.693 0.282 . . . . 25.0 111.517 178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -56.97 6.9 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.696 0.284 . . . . 25.0 111.037 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.12 5.52 35.15 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 20.0 t0 -58.06 103.18 0.13 Allowed 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 121.935 0.874 . . . . 50.0 111.158 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.537 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 27.2 mtt180 -60.07 -33.18 71.71 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 113.894 -1.503 . . . . 25.0 113.386 -172.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -115.56 -3.23 12.36 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.059 -0.519 . . . . 50.0 110.225 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.7 t60 61.04 33.29 19.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.465 1.283 . . . . 25.0 114.465 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 46.7 p -69.47 -11.09 60.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.35 0.66 . . . . 25.0 112.704 175.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.52 14.39 61.72 Favored Glycine 0 CA--C 1.51 -0.266 0 N-CA-C 108.342 -1.903 . . . . 25.0 108.342 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.5 p -154.32 136.41 14.72 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 114.032 -1.084 . . . . 25.0 108.583 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -93.36 126.27 38.4 Favored 'General case' 0 C--O 1.195 -1.793 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.09 -167.55 35.86 Favored Glycine 0 C--O 1.195 -2.32 0 N-CA-C 108.961 -1.655 . . . . 25.0 108.961 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.49 -60.62 0.21 Allowed 'Trans proline' 0 C--N 1.329 -0.497 0 CA-C-N 120.808 2.304 . . . . 25.0 113.933 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.48 -16.81 64.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.817 0.818 . . . . 25.0 110.644 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.537 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 15.6 mt-10 -87.06 -45.62 10.56 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 116.036 -0.529 . . . . 50.0 110.331 176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.438 ' CG ' HG21 ' A' ' 807' ' ' VAL . 31.0 t80 -58.8 -39.44 81.12 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.713 0.805 . . . . 25.0 111.713 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -24.99 67.91 Favored 'General case' 0 C--O 1.212 -0.909 0 CA-C-N 115.964 -0.562 . . . . 25.0 110.607 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -33.33 21.84 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 47.9 t -63.16 -44.83 94.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.195 0.998 . . . . 25.0 109.368 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.91 -18.88 61.78 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 116.202 1.927 . . . . 25.0 116.202 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.24 -37.88 79.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.833 -0.802 . . . . 25.0 108.833 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 32.1 m -72.64 -12.49 61.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.59 -18.98 17.08 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.484 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.59 52.49 3.34 Favored Glycine 0 C--O 1.222 -0.656 0 C-N-CA 118.79 -1.672 . . . . 25.0 109.892 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 163.48 3.19 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 116.42 2.008 . . . . 25.0 116.42 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -90.89 13.01 17.68 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.068 0.937 . . . . 25.0 111.018 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.21 174.91 10.11 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.26 -168.04 19.21 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.59 -1.404 . . . . 25.0 109.59 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.11 56.5 3.19 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.894 0.854 . . . . 25.0 109.743 179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 786' ' ' PRO . 14.6 t70 -126.5 145.0 51.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 785' ' ' ASP . 63.1 Cg_endo -63.87 -21.21 69.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 121.426 1.417 . . . . 25.0 113.575 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -81.06 -41.68 22.22 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -67.42 -30.29 75.03 Favored Glycine 0 C--O 1.205 -1.7 0 C-N-CA 120.297 -0.954 . . . . 25.0 111.955 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.71 -28.17 68.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 118.117 0.958 . . . . 25.0 110.393 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.42 61.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -71.51 -34.75 70.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.475 0.655 . . . . 25.0 110.286 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.402 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.42 -41.77 94.66 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 174.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.06 -31.02 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.614 -0.434 . . . . 25.0 111.806 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -59.89 -41.48 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.631 -0.878 . . . . 25.0 108.631 173.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 792' ' ' PHE . 11.1 mt -74.42 -39.95 48.77 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.142 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -26.69 37.42 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.553 0.692 . . . . 25.0 110.474 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 19.3 t -77.98 -29.42 49.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.532 -0.758 . . . . 25.0 112.089 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.5 pt -90.58 -23.99 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 CA-C-N 118.072 0.396 . . . . 25.0 111.821 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.605 HG23 HG22 ' A' ' 807' ' ' VAL . 30.1 m -93.4 23.51 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.482 1.134 . . . . 25.0 109.347 177.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -124.83 60.27 25.93 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 114.34 -1.3 . . . . 25.0 107.863 169.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.1 -6.71 19.64 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 118.165 -0.756 . . . . 25.0 114.049 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -102.86 -0.54 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' A' ' 803' ' ' ARG . 0.0 OUTLIER 54.13 40.42 31.64 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.22 1.008 . . . . 25.0 113.695 178.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.466 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.61 -8.22 18.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.501 177.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.53 22.16 62.85 Favored Glycine 0 CA--C 1.517 0.159 0 C-N-CA 121.131 -0.557 . . . . 25.0 113.458 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.466 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.79 154.05 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.605 HG22 HG23 ' A' ' 799' ' ' VAL . 48.5 t -95.54 123.76 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.56 169.82 8.3 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.364 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.464 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.68 -43.32 47.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.188 1.181 . . . . 25.0 114.188 178.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -17.94 60.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.214 0.53 . . . . 25.0 110.532 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.58 -37.58 19.41 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 115.67 -0.696 . . . . 25.0 111.105 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.464 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 63.2 m-85 -59.24 -32.22 69.79 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 25.0 111.249 -177.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.476 HG21 ' HE2' ' A' ' 748' ' ' MET . 11.1 mm -62.75 -32.69 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.916 0.865 . . . . 25.0 110.365 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.16 -39.82 57.18 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 114.588 -1.187 . . . . 25.0 111.207 176.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -79.39 -43.29 23.69 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 120.847 0.356 . . . . 25.0 110.828 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.75 37.51 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.127 1.529 . . . . 25.0 115.127 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 12.5 t -78.42 -19.75 52.57 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 120.248 -1.533 . . . . 25.0 111.38 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -75.06 -21.42 59.02 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 116.507 -0.315 . . . . 25.0 110.365 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.74 -22.44 1.39 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.346 1.458 . . . . 25.0 113.546 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 39.3 p -75.27 8.47 2.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -87.05 -127.77 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.396 0.888 . . . . 25.0 113.396 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -154.65 150.0 27.19 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.73 170.18 21.28 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.041 1.497 . . . . 25.0 115.041 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -86.66 -37.07 18.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.579 -0.737 . . . . 25.0 110.184 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 18.5 p -64.16 -21.39 66.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.562 0.745 . . . . 25.0 110.158 174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -54.95 -27.19 41.7 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.619 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.54 -36.9 74.6 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.796 0.807 . . . . 25.0 110.909 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -71.85 -43.0 66.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.802 -0.636 . . . . 25.0 111.926 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.7 p -74.23 -32.84 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.2 -0.6 . . . . 25.0 110.207 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.7 mtm -66.33 -19.03 65.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.897 -0.502 . . . . 25.0 111.953 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.91 -23.62 65.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.91 -0.493 . . . . 25.0 110.605 175.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.9 m -64.94 -22.74 67.05 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.636 0.606 . . . . 25.0 112.636 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -65.21 -22.94 66.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.85 -0.531 . . . . 25.0 110.932 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.04 -34.67 75.59 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.657 -0.652 . . . . 25.0 109.75 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.0 -38.99 44.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.307 -1.368 . . . . 25.0 107.307 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.95 -45.33 90.74 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.448 -0.796 . . . . 25.0 110.354 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -68.54 -42.63 78.16 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.722 0.772 . . . . 25.0 110.376 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 84.79 -99.13 2.27 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 110.701 -0.96 . . . . 25.0 110.701 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -114.97 -1.23 13.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 117.56 0.68 . . . . 25.0 112.384 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -87.74 155.5 19.88 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -90.49 0.67 57.23 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 113.913 1.079 . . . . 25.0 113.913 -174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -146.44 161.67 39.9 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 104.615 -2.365 . . . . 25.0 104.615 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 2.9 tp -114.08 148.62 16.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.117 -1.808 . . . . 25.0 106.117 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 55.7 p -87.59 154.83 20.3 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . 0.448 ' HG2' HD11 ' A' ' 877' ' ' LEU . 62.4 mtt -57.62 -34.99 69.89 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 108.989 -0.745 . . . . 25.0 108.989 173.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -63.87 -35.73 81.59 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-N 115.585 -0.734 . . . . 25.0 112.377 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.51 -36.9 79.51 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.136 -0.353 . . . . 25.0 110.587 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.36 -41.89 75.95 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 175.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -75.38 14.21 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -113.02 -34.29 5.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 108.386 -0.968 . . . . 25.0 108.386 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -90.95 -24.44 20.15 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.78 89.91 42.54 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.232 -0.44 . . . . 25.0 110.887 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.37 -34.69 81.74 Favored 'Trans proline' 0 CA--C 1.572 2.379 0 N-CA-C 117.613 2.12 . . . . 25.0 117.613 164.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 41.0 Cg_endo -82.47 -168.73 0.63 Allowed 'Trans proline' 0 C--N 1.363 1.32 0 N-CA-C 116.552 1.712 . . . . 25.0 116.552 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -59.24 -16.61 22.11 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 114.787 -1.097 . . . . 25.0 112.845 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -58.83 -31.63 68.66 Favored 'General case' 0 C--O 1.222 -0.366 0 O-C-N 121.517 -0.739 . . . . 25.0 110.303 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.94 71.65 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.501 -0.48 . . . . 25.0 111.577 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.47 -32.37 62.55 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 -175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -49.76 72.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 172.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 94.8 m -64.36 -43.77 93.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 37.3 mt -58.54 -42.84 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.222 0.534 . . . . 25.0 110.593 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.86 89.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.693 -0.685 . . . . 25.0 112.577 -174.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -16.12 34.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 7.7 ttm -72.67 157.37 37.67 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.713 -0.617 . . . . 25.0 110.124 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.53 131.05 86.65 Favored Pre-proline 0 C--O 1.221 -0.442 0 O-C-N 121.524 -0.735 . . . . 25.0 109.782 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.28 89.39 0.93 Allowed 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.289 2.659 . . . . 25.0 113.433 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -93.31 97.96 10.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 46.1 p -144.17 77.93 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.851 0.834 . . . . 25.0 110.42 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -94.13 175.41 34.94 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 108.505 -1.838 . . . . 25.0 108.505 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.26 -19.22 29.56 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.08 1.853 . . . . 25.0 112.552 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.2 -7.78 47.33 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.896 1.278 . . . . 25.0 108.7 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.0 t -104.99 -165.28 1.12 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.348 -1.297 . . . . 25.0 109.135 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -123.73 155.75 66.01 Favored Pre-proline 0 CA--C 1.501 -0.935 0 N-CA-C 106.277 -1.749 . . . . 25.0 106.277 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.29 0.5 8.44 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 N-CA-C 113.893 0.69 . . . . 25.0 113.893 -174.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -121.64 39.55 2.32 Favored Glycine 0 C--O 1.222 -0.611 0 CA-C-O 119.391 -0.672 . . . . 25.0 113.214 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.95 140.5 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 845' ' ' MET . 3.7 mt -141.92 149.56 40.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.197 -0.297 . . . . 25.0 110.197 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -89.07 110.97 21.62 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.767 -0.773 . . . . 25.0 111.136 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -67.5 -38.0 83.66 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.342 -0.844 . . . . 25.0 111.598 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.2 -25.73 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.0 t -104.14 19.42 20.16 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.674 0.273 . . . . 25.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.0 OUTLIER -43.68 150.88 0.22 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.543 1.312 . . . . 25.0 114.543 177.591 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 11.1 m -67.84 128.96 38.41 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.578 -0.737 . . . . 25.0 112.413 -173.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 9.6 t -77.68 12.07 1.83 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.514 0.673 . . . . 25.0 110.777 176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -134.84 156.81 48.25 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.285 -1.376 . . . . 25.0 107.285 178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.04 171.03 10.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.04 176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -65.18 50.12 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 116.36 1.985 . . . . 25.0 116.36 175.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -70.7 155.04 52.75 Favored Glycine 0 CA--C 1.52 0.393 0 O-C-N 121.56 -0.712 . . . . 25.0 111.391 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -66.82 139.0 57.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.968 0.413 . . . . 25.0 112.081 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 68.9 m -149.76 142.13 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.019 -1.104 . . . . 25.0 108.019 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -161.08 161.34 31.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 115.821 -2.038 . . . . 25.0 113.411 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 118.755 -1.025 . . . . 25.0 111.447 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.4 m -112.24 8.64 19.86 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 118.147 0.974 . . . . 25.0 113.293 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -30.37 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.855 0.836 . . . . 25.0 111.778 -177.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -66.82 149.93 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.204 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.0 p -97.42 164.98 12.22 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.6 -25.52 67.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 25.0 111.051 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -84.74 -36.3 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.938 -0.305 . . . . 25.0 110.709 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -61.44 -41.01 96.53 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 121.262 0.553 . . . . 25.0 110.22 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -73.63 -20.94 60.44 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -32.94 24.2 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.725 -0.39 . . . . 25.0 110.732 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -36.96 23.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 56.7 t80 -71.94 -24.24 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -62.36 -19.6 63.54 Favored 'General case' 0 C--O 1.2 -1.546 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.43 -22.14 63.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.192 0.906 . . . . 25.0 110.638 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 3.3 t -64.09 -14.53 55.31 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 122.103 -0.373 . . . . 25.0 110.875 177.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -21.48 29.08 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 172.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -0.31 10.02 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.658 0.266 . . . . 25.0 111.586 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.6 -54.56 8.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.977 0.417 . . . . 25.0 111.021 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.422 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.9 m-85 -104.05 4.04 33.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.382 -0.372 . . . . 25.0 111.343 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.427 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 23.2 t0 -58.37 103.47 0.15 Allowed 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.777 0.799 . . . . 50.0 111.634 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.494 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 56.9 mtt180 -57.95 -32.12 67.52 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-N 114.353 -1.294 . . . . 25.0 113.674 -173.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -118.23 1.58 11.9 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.519 0.512 . . . . 75.0 111.197 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 54.82 34.31 21.68 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.515 1.672 . . . . 25.0 115.515 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 58.1 p -69.48 -8.82 50.33 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.229 0.825 . . . . 25.0 113.229 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 15.51 65.26 Favored Glycine 0 CA--C 1.51 -0.258 0 N-CA-C 108.615 -1.794 . . . . 25.0 108.615 -178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -154.65 136.32 14.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.101 -1.05 . . . . 25.0 109.104 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.05 126.29 41.18 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.93 -168.22 39.15 Favored Glycine 0 C--O 1.195 -2.322 0 N-CA-C 108.913 -1.675 . . . . 25.0 108.913 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.76 -60.53 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.478 0 CA-C-N 121.082 2.441 . . . . 25.0 114.471 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -16.86 64.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.624 0.726 . . . . 25.0 110.355 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.494 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 14.8 mt-10 -85.74 -46.2 10.92 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.931 176.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.433 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.9 t80 -59.06 -40.1 84.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.071 0.949 . . . . 25.0 111.489 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.91 66.41 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.362 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.63 -34.31 21.41 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 50.1 t -61.71 -46.05 91.33 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.177 0.989 . . . . 25.0 109.697 176.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.09 -18.73 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 116.153 1.909 . . . . 25.0 116.153 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.87 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 44.4 m -76.33 -6.88 53.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.0 -14.25 16.55 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 109.985 -0.376 . . . . 25.0 109.985 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.26 47.13 6.23 Favored Glycine 0 C--O 1.219 -0.838 0 C-N-CA 118.65 -1.738 . . . . 25.0 110.302 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.32 160.29 1.17 Allowed 'General case' 0 C--O 1.213 -0.827 0 N-CA-C 117.06 2.244 . . . . 25.0 117.06 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -93.31 20.92 6.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.712 0.768 . . . . 25.0 111.063 -175.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.82 172.64 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.796 0 N-CA-C 106.542 -1.651 . . . . 25.0 106.542 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 104.21 167.46 24.87 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 121.346 -0.454 . . . . 25.0 112.313 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 62.88 -6.03 0.18 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.89 158.8 61.46 Favored Pre-proline 0 C--N 1.317 -0.841 0 C-N-CA 123.304 0.642 . . . . 25.0 110.081 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -74.77 -20.18 17.7 Favored 'Trans proline' 0 C--N 1.347 0.489 0 N-CA-C 114.746 1.018 . . . . 25.0 114.746 -176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -76.55 -33.15 58.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.28 73.07 Favored Glycine 0 C--O 1.207 -1.563 0 C-N-CA 120.701 -0.762 . . . . 25.0 112.628 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.54 -25.15 65.68 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.433 1.117 . . . . 25.0 110.802 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.28 -39.79 28.17 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.408 -0.96 . . . . 25.0 108.408 179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -67.93 -36.68 80.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.085 -0.962 . . . . 25.0 109.922 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.468 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -61.32 -41.77 97.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 175.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.21 74.58 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.387 -0.525 . . . . 25.0 111.426 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -41.53 99.53 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 792' ' ' PHE . 14.8 mt -68.03 -42.31 85.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.045 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -26.98 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.128 0.489 . . . . 25.0 111.466 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -79.42 -30.9 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.053 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -88.45 -23.55 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 121.598 -0.689 . . . . 25.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.573 HG23 HG22 ' A' ' 807' ' ' VAL . 29.6 m -91.93 24.18 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 122.122 0.963 . . . . 25.0 109.413 176.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -120.71 62.75 10.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.665 -1.152 . . . . 25.0 109.47 168.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -69.62 -1.86 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 N-CA-C 114.557 0.945 . . . . 25.0 114.557 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -113.32 -1.3 14.29 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.846 -0.534 . . . . 25.0 109.625 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 55.63 41.78 30.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.177 0.991 . . . . 25.0 112.851 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.472 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.4 -7.19 16.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 25.0 111.866 178.136 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.07 65.25 Favored Glycine 0 N--CA 1.459 0.2 0 C-N-CA 121.137 -0.554 . . . . 25.0 113.801 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.472 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.44 152.13 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.426 -0.583 . . . . 25.0 109.426 -179.253 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.573 HG22 HG23 ' A' ' 799' ' ' VAL . 47.3 t -90.31 125.96 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 -176.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.5 p -106.09 166.86 10.2 Favored 'General case' 0 C--O 1.204 -1.316 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.833 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.48 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -51.04 -42.69 60.64 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 113.547 0.943 . . . . 25.0 113.547 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.42 -17.1 60.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.134 0.492 . . . . 25.0 110.447 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.77 -36.48 17.28 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.539 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.48 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.94 -32.74 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.61 0.719 . . . . 25.0 110.548 -178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.0 mm -60.86 -32.78 53.11 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 CA-C-N 115.224 -0.898 . . . . 25.0 110.998 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.86 -41.86 71.33 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.326 -0.852 . . . . 25.0 110.966 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.23 -39.76 59.69 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.52 0.676 . . . . 25.0 110.503 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.457 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -58.85 -28.71 66.34 Favored 'General case' 0 C--O 1.202 -1.442 0 O-C-N 121.525 -0.734 . . . . 25.0 112.802 178.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.0 t -84.88 -18.82 33.58 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.373 -1.455 . . . . 25.0 110.394 177.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -74.24 -19.86 60.37 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.079 -0.509 . . . . 25.0 111.03 174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.05 -20.72 1.51 Allowed 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.64 1.576 . . . . 25.0 114.22 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 60.6 p -70.42 1.97 4.43 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -108.55 132.06 54.22 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.607 0.363 . . . . 25.0 110.293 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.33 145.42 53.86 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.071 -0.513 . . . . 25.0 111.797 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.05 175.96 9.33 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -84.99 -37.84 19.96 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.59 0.709 . . . . 25.0 110.567 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 1.2 p -65.65 -18.45 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 123.932 0.893 . . . . 25.0 109.894 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.49 -20.21 59.33 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.597 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -57.54 -36.45 71.64 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.75 0.786 . . . . 25.0 110.661 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.05 -41.18 77.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.607 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 826' ' ' ALA . 14.9 p -82.13 -33.37 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.388 -0.525 . . . . 25.0 110.295 -175.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 77.5 mtm -69.21 -16.69 63.67 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.818 -0.552 . . . . 25.0 110.784 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.58 -27.47 66.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 835' ' ' ILE . 10.5 m -63.79 -22.04 66.72 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 178.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -64.14 -26.55 68.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.783 -0.573 . . . . 25.0 110.052 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -35.05 63.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 832' ' ' SER . 2.8 mp -68.19 -42.26 84.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.26 -1.015 . . . . 25.0 108.26 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.459 ' HB3' HD11 ' A' ' 843' ' ' ILE . 11.5 mt -62.66 -47.39 83.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 25.0 110.365 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.36 96.6 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.126 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.47 -83.47 1.33 Allowed Glycine 0 C--O 1.225 -0.435 0 CA-C-N 115.631 -0.713 . . . . 25.0 112.077 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -111.48 -27.62 8.52 Favored 'General case' 0 C--O 1.254 1.332 0 O-C-N 120.922 -1.34 . . . . 25.0 113.644 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 840' ' ' LYS . 6.2 pttm -80.81 160.73 24.75 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.149 1.452 . . . . 25.0 109.683 -164.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -86.19 2.77 45.69 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 113.524 -1.671 . . . . 25.0 115.069 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -146.32 166.86 25.05 Favored 'General case' 0 C--O 1.199 -1.6 0 N-CA-C 105.05 -2.204 . . . . 25.0 105.05 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 836' ' ' LEU . 5.4 tp -119.3 148.6 22.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 175.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 80.7 p -85.81 151.06 24.11 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -55.82 -32.41 63.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 25.0 110.451 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.57 -27.23 65.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.147 0.795 . . . . 25.0 113.147 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -73.84 -36.87 64.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.743 0.306 . . . . 25.0 110.762 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 74.2 mt -67.58 -38.02 83.46 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 175.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -76.31 10.61 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.359 -0.837 . . . . 25.0 112.292 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -105.9 -37.79 6.56 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -89.39 -29.49 19.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.682 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.54 91.16 33.05 Favored Pre-proline 0 CA--C 1.537 0.48 0 N-CA-C 112.132 0.419 . . . . 25.0 112.132 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -55.68 -34.01 89.18 Favored 'Trans proline' 0 CA--C 1.575 2.534 0 N-CA-C 118.067 2.295 . . . . 25.0 118.067 164.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.26 -167.72 0.52 Allowed 'Trans proline' 0 C--N 1.364 1.375 0 N-CA-C 117.185 1.956 . . . . 25.0 117.185 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -50.19 -26.97 5.16 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 114.103 -1.408 . . . . 25.0 114.0 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.61 -31.53 64.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.457 -0.777 . . . . 25.0 112.37 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.47 -48.41 75.33 Favored 'General case' 0 C--O 1.218 -0.564 0 C-N-CA 120.271 -0.571 . . . . 25.0 111.05 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -74.75 -31.34 61.77 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.873 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -51.61 65.63 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.279 -1.008 . . . . 25.0 108.279 170.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.11 -43.99 93.62 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.326 -0.397 . . . . 25.0 110.441 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.7 mt -58.77 -41.52 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 120.907 0.384 . . . . 25.0 110.492 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.52 93.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.632 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -82.3 -20.33 37.65 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.786 0.326 . . . . 25.0 111.531 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.539 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.1 ttm -74.22 152.05 39.83 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.513 0.56 . . . . 25.0 112.513 -175.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -68.06 131.57 92.2 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 120.276 -0.569 . . . . 25.0 110.441 -173.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.9 88.93 0.89 Allowed 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 124.434 3.423 . . . . 25.0 114.813 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -93.82 98.67 11.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.875 0.845 . . . . 25.0 109.665 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 63.2 p -138.84 146.49 41.3 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 25.0 108.586 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 167.64 177.6 39.17 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 107.633 -2.187 . . . . 25.0 107.633 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.3 -20.56 18.51 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.984 2.456 . . . . 25.0 113.364 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -87.65 -10.37 51.51 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 124.663 1.185 . . . . 25.0 108.244 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 75.4 m -118.83 -173.57 2.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.141 -1.39 . . . . 25.0 108.564 -177.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.44 156.53 45.77 Favored Pre-proline 0 CA--C 1.504 -0.795 0 N-CA-C 106.02 -1.844 . . . . 25.0 106.02 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.26 5.03 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 N-CA-C 114.157 0.791 . . . . 25.0 114.157 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.46 45.7 1.11 Allowed Glycine 0 C--O 1.224 -0.47 0 CA-C-O 119.43 -0.65 . . . . 25.0 111.816 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.76 140.14 47.79 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -141.92 149.14 39.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.784 -0.189 . . . . 25.0 110.684 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.07 108.81 18.44 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.105 -0.638 . . . . 25.0 111.59 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -65.97 -33.29 75.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.036 -0.984 . . . . 25.0 112.574 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -95.78 -24.68 16.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.5 t -100.14 14.41 30.86 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.198 0.523 . . . . 25.0 110.269 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.539 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 0.1 OUTLIER -50.55 154.13 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.87 1.433 . . . . 25.0 114.87 179.229 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.6 t -89.23 113.03 24.21 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.728 1.01 . . . . 25.0 113.728 -175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.0 p -75.51 -11.8 60.1 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.63 -0.714 . . . . 25.0 109.783 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.49 12.73 24.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.06 -0.518 . . . . 25.0 110.379 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 3.8 mp 66.78 177.69 0.23 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.445 1.09 . . . . 25.0 110.933 -177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -74.0 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 81.74 119.5 0.51 Allowed Glycine 0 CA--C 1.523 0.584 0 CA-C-O 121.629 0.572 . . . . 25.0 113.569 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -88.55 128.93 35.57 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.772 -0.84 . . . . 25.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 67.9 m -151.97 151.8 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.97 -1.122 . . . . 25.0 107.97 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -150.65 109.65 3.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 C--O 1.252 1.229 0 O-C-N 124.328 1.017 . . . . 25.0 112.851 -179.132 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 CA-C-O 119.164 -0.798 . . . . 25.0 111.608 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 59.5 p -96.45 2.04 52.18 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.1 p -69.21 -31.37 69.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.67 0.747 . . . . 25.0 110.752 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.3 OUTLIER -70.82 148.81 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.592 0.711 . . . . 25.0 111.554 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.9 t -92.91 159.18 15.46 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -63.79 -30.04 71.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.191 -0.458 . . . . 25.0 110.105 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.99 -36.42 36.01 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.495 -0.482 . . . . 25.0 109.893 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -61.34 -40.92 96.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 25.0 111.175 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 6.5 ptp -74.78 -21.01 59.56 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.99 -39.77 33.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.721 -0.218 . . . . 25.0 111.172 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.46 -36.69 52.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.844 -0.743 . . . . 25.0 109.305 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 61.2 t80 -73.32 -22.34 60.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.75 -19.62 65.11 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.271 -0.893 . . . . 25.0 108.895 175.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.12 -21.6 63.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 118.87 0.759 . . . . 25.0 110.555 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.1 t -64.62 -13.87 55.48 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.754 0.311 . . . . 25.0 110.688 177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.94 -21.5 44.3 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.976 1.102 . . . . 25.0 113.976 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 5.19 9.29 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-O 120.879 0.371 . . . . 25.0 111.105 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -77.15 -53.02 8.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.712 0.291 . . . . 25.0 111.521 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -104.07 3.67 33.48 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.468 -0.333 . . . . 25.0 111.896 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 17.4 t0 -56.02 104.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.152 0.977 . . . . 50.0 112.784 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.434 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.0 OUTLIER -54.41 -32.04 56.4 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.101 -1.409 . . . . 25.0 113.129 -173.564 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 15.2 p30 -122.19 1.11 9.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.752 -0.658 . . . . 75.0 111.857 -177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 79.1 m80 54.46 35.23 22.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 69.8 p -71.65 -9.44 58.26 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.577 0.751 . . . . 25.0 112.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.18 14.55 64.06 Favored Glycine 0 CA--C 1.509 -0.283 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.74 136.39 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.333 -0.933 . . . . 25.0 108.889 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -95.02 126.77 40.59 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 107.81 -1.182 . . . . 25.0 107.81 177.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.51 -166.52 38.74 Favored Glycine 0 C--O 1.198 -2.115 0 N-CA-C 109.194 -1.562 . . . . 25.0 109.194 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -62.26 -60.38 0.2 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 120.709 2.254 . . . . 25.0 114.223 -176.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -14.53 63.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.807 0.813 . . . . 25.0 110.889 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.434 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 14.5 mt-10 -88.71 -44.76 10.34 Favored 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.469 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.441 ' CG ' HG21 ' A' ' 807' ' ' VAL . 30.5 t80 -59.49 -38.84 81.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.604 0.762 . . . . 25.0 111.565 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -22.9 67.08 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.334 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.67 -35.61 20.79 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 121.111 0.481 . . . . 25.0 109.762 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.54 -44.15 97.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.161 0.981 . . . . 25.0 109.918 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 25.5 mt -63.69 -18.86 64.43 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 116.005 1.854 . . . . 25.0 116.005 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.4 -39.49 79.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.1 m -76.63 -5.91 49.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.714 -0.676 . . . . 25.0 112.778 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -105.41 -13.86 15.51 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 123.332 0.395 . . . . 25.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 84.35 51.54 3.88 Favored Glycine 0 C--O 1.225 -0.459 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.278 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.97 160.89 16.83 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 117.26 2.319 . . . . 25.0 117.26 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -91.51 11.37 24.29 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.775 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.13 -177.73 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 CA-C-N 115.753 -0.658 . . . . 25.0 111.744 -174.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . 102.23 133.32 8.01 Favored Glycine 0 C--O 1.222 -0.653 0 CA-C-N 116.02 -0.536 . . . . 25.0 114.249 170.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 61.16 13.49 4.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.861 1.059 . . . . 25.0 113.861 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -123.91 143.95 43.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -62.95 -25.45 74.1 Favored 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 120.952 1.102 . . . . 25.0 113.977 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -87.25 -47.08 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -62.34 -33.9 87.62 Favored Glycine 0 C--O 1.206 -1.633 0 N-CA-C 115.011 0.764 . . . . 25.0 115.011 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -66.58 -23.95 66.27 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 118.97 1.385 . . . . 25.0 110.715 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -80.29 -38.34 30.96 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.64 -32.88 68.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.793 -0.64 . . . . 25.0 110.434 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -44.54 83.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.39 -31.95 70.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.861 -0.335 . . . . 25.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -63.1 -38.63 91.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 175.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 15.1 mt -72.11 -41.2 67.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.998 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -24.92 47.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.147 0.499 . . . . 25.0 111.146 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.2 t -78.25 -28.47 47.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.97 -0.559 . . . . 25.0 112.169 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.1 pt -91.77 -23.56 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.756 -0.59 . . . . 25.0 112.163 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.459 HG23 HG22 ' A' ' 807' ' ' VAL . 33.3 m -92.19 24.15 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 122.174 0.988 . . . . 25.0 109.825 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -122.69 62.49 17.81 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 114.763 -1.108 . . . . 25.0 109.355 171.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.0 -9.81 26.89 Favored 'Trans proline' 0 C--N 1.349 0.562 0 N-CA-C 114.647 0.98 . . . . 25.0 114.647 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -109.46 -1.33 18.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.678 0.275 . . . . 25.0 110.403 -175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 56.58 41.06 29.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.66 0.784 . . . . 25.0 112.638 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.47 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.71 -8.48 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.756 -1.111 . . . . 25.0 110.325 177.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.79 22.75 65.78 Favored Glycine 0 C--O 1.234 0.118 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.83 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -140.9 151.93 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.459 HG22 HG23 ' A' ' 799' ' ' VAL . 41.1 t -90.56 125.18 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 2.0 p -106.67 167.65 9.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.586 -0.733 . . . . 25.0 111.735 -175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.471 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -50.62 -43.08 56.83 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 177.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.05 -16.09 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 25.0 110.6 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -88.57 -36.14 16.51 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.262 0.553 . . . . 25.0 111.667 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.471 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 62.6 m-85 -59.24 -31.91 69.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.538 0.685 . . . . 25.0 110.59 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.6 mm -62.01 -31.96 52.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.388 -0.824 . . . . 25.0 110.657 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -54.43 -37.05 64.67 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.126 -0.943 . . . . 25.0 111.193 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.67 -41.85 23.04 Favored 'General case' 0 C--O 1.206 -1.203 0 CA-C-O 120.737 0.303 . . . . 25.0 110.929 174.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.412 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.13 -30.18 59.25 Favored 'General case' 0 C--O 1.202 -1.411 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 2.1 t -79.15 -16.85 56.03 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.73 -1.231 . . . . 25.0 111.928 177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -76.64 -21.45 55.45 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 116.224 -0.444 . . . . 25.0 110.384 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -52.06 -21.4 3.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.905 1.282 . . . . 25.0 113.055 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 75.9 p -70.26 -3.19 15.92 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 112.882 0.697 . . . . 25.0 112.882 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.58 152.65 23.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.6 -0.519 . . . . 25.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.08 142.83 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.064 -0.516 . . . . 25.0 112.11 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.86 159.17 42.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 111.602 0.223 . . . . 25.0 111.602 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.61 -48.1 67.76 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.177 0.989 . . . . 25.0 110.602 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.3 p -65.59 -15.56 62.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.935 -1.029 . . . . 25.0 112.3 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -63.33 -21.01 66.0 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 111.553 0.205 . . . . 25.0 111.553 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.59 -37.14 70.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.813 0.816 . . . . 25.0 110.683 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -68.57 -41.18 80.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.654 -0.703 . . . . 25.0 112.202 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 826' ' ' ALA . 14.2 p -81.13 -32.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.535 -0.466 . . . . 25.0 109.833 -174.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 76.5 mtm -70.25 -12.38 61.55 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.919 -0.488 . . . . 25.0 111.625 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.78 -22.5 62.24 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.043 -0.41 . . . . 25.0 110.04 173.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.7 p -59.8 -25.99 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -62.54 -26.7 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.394 0.543 . . . . 25.0 111.349 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -71.1 -33.91 70.6 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.593 -0.692 . . . . 25.0 109.754 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.76 -38.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.932 -1.136 . . . . 25.0 107.932 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -44.87 95.66 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.204 0.525 . . . . 25.0 110.089 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.27 85.25 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.071 0.938 . . . . 25.0 109.386 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 79.74 -83.64 1.35 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.562 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -114.98 -27.68 7.28 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 -176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.434 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.9 ptmt -69.68 151.07 46.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.016 0.436 . . . . 25.0 110.595 -172.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -84.96 1.09 48.96 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -147.47 161.13 41.7 Favored 'General case' 0 C--O 1.215 -0.745 0 N-CA-C 105.565 -2.013 . . . . 25.0 105.565 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -113.06 149.88 15.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 105.841 -1.911 . . . . 25.0 105.841 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 73.5 p -90.05 154.43 19.81 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.02 -32.99 68.48 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-O 121.459 0.647 . . . . 25.0 109.416 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.14 -31.03 71.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.53 -0.759 . . . . 25.0 112.587 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.94 -38.31 64.29 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.099 -0.376 . . . . 25.0 110.587 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.87 -40.24 91.46 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.3 mtp-105 -76.26 16.16 0.49 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.651 0.611 . . . . 25.0 112.651 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -118.39 -38.23 3.2 Favored 'General case' 0 CA--C 1.511 -0.551 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -83.26 -26.63 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.58 91.45 41.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 122.65 0.38 . . . . 25.0 110.06 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -54.66 -33.54 80.06 Favored 'Trans proline' 0 CA--C 1.571 2.328 0 N-CA-C 117.518 2.084 . . . . 25.0 117.518 165.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -83.08 -169.85 0.8 Allowed 'Trans proline' 0 C--N 1.364 1.382 0 N-CA-C 117.222 1.97 . . . . 25.0 117.222 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -51.35 -23.46 3.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 113.863 -1.517 . . . . 25.0 113.645 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -56.96 -31.16 64.71 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.589 -0.694 . . . . 25.0 112.124 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.3 -48.16 82.64 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.244 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.52 -31.41 57.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -49.27 73.43 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 170.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 87.6 m -65.89 -42.65 90.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.451 -0.34 . . . . 25.0 110.917 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 41.9 mt -58.55 -41.6 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.051 0.453 . . . . 25.0 110.034 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.11 -37.6 87.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.998 -0.546 . . . . 25.0 111.936 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -83.77 -15.22 49.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.92 0.391 . . . . 25.0 111.327 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.567 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.4 ttm -79.81 154.6 28.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 113.053 0.76 . . . . 25.0 113.053 -177.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -71.74 131.56 85.87 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.501 -0.479 . . . . 25.0 110.869 -174.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -72.13 90.5 0.76 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 124.491 3.461 . . . . 25.0 114.477 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -93.35 114.39 26.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.61 0.719 . . . . 25.0 112.277 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 77.5 p -135.29 150.94 50.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.414 -0.587 . . . . 25.0 109.414 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.8 173.07 36.25 Favored Glycine 0 C--O 1.226 -0.359 0 N-CA-C 109.21 -1.556 . . . . 25.0 109.21 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -73.55 -23.64 16.95 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.122 2.548 . . . . 25.0 113.61 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.17 -21.34 29.24 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 124.321 1.049 . . . . 25.0 108.543 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 73.2 m -97.24 178.98 5.06 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.068 -1.423 . . . . 25.0 109.086 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.36 158.08 36.33 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.09 4.76 3.02 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 N-CA-C 113.89 0.689 . . . . 25.0 113.89 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.75 54.62 0.77 Allowed Glycine 0 C--O 1.225 -0.419 0 N-CA-C 110.142 -1.183 . . . . 25.0 110.142 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.86 140.57 47.55 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.7 mt -142.02 149.97 40.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.706 -0.224 . . . . 25.0 111.01 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.65 110.49 21.37 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.025 -0.67 . . . . 25.0 111.525 176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.42 -30.42 68.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.1 -0.954 . . . . 25.0 112.225 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -98.22 -20.17 17.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.7 t -105.36 16.76 25.08 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 1.7 p90 -53.08 158.33 1.52 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.3 t -88.31 112.82 23.27 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 34.0 p -75.31 -8.65 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.715 -0.675 . . . . 25.0 109.853 172.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -99.06 15.07 27.03 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.072 0.549 . . . . 25.0 110.501 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.4 mp 65.29 179.19 0.19 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.312 1.007 . . . . 25.0 110.819 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -45.31 73.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 65.1 -152.97 50.9 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.672 -0.971 . . . . 25.0 110.672 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -142.5 148.51 37.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 104.487 -2.412 . . . . 25.0 104.487 175.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 72.8 p -157.89 168.79 26.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -154.77 174.91 14.39 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 105.405 -2.072 . . . . 25.0 105.405 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 58.9 tp . . . . . 0 C--O 1.25 1.122 0 CA-C-O 117.849 -1.072 . . . . 25.0 112.282 -177.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.223 -0.765 . . . . 25.0 112.454 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 19.9 m -94.06 -10.74 32.45 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.32 1.06 . . . . 25.0 113.081 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 30.1 p 57.14 -169.8 0.1 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.409 1.084 . . . . 25.0 111.749 -172.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 142.27 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-O 121.662 0.744 . . . . 25.0 109.507 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.582 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 29.2 t -89.81 157.92 17.71 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.489 -0.56 . . . . 25.0 109.489 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -24.42 67.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.747 -0.66 . . . . 25.0 109.46 173.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.32 -35.7 23.09 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 109.951 -0.388 . . . . 25.0 109.951 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.455 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 43.6 tp60 -62.87 -42.33 99.72 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 120.735 -0.386 . . . . 25.0 110.101 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.455 ' HE2' HG21 ' A' ' 813' ' ' ILE . 7.0 ptp -72.59 -21.07 61.19 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.47 -40.51 35.32 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.7 -0.4 . . . . 25.0 110.88 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -78.96 -34.87 43.93 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.695 -0.802 . . . . 25.0 109.584 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -73.68 -21.7 60.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.487 -0.758 . . . . 25.0 112.585 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.15 -20.17 65.81 Favored 'General case' 0 C--O 1.203 -1.351 0 O-C-N 121.253 -0.905 . . . . 25.0 108.7 173.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.69 -21.3 62.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 118.832 0.742 . . . . 25.0 110.074 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -63.97 -14.24 52.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.78 0.324 . . . . 25.0 110.948 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -23.6 39.37 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.029 1.122 . . . . 25.0 114.029 171.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.19 -1.01 10.93 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -70.34 -56.34 6.94 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.071 0.463 . . . . 25.0 111.223 -178.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.0 4.1 34.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.193 -0.458 . . . . 25.0 111.497 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 20.8 t0 -56.48 104.53 0.15 Allowed 'General case' 0 CA--C 1.507 -0.7 0 CA-C-O 122.303 1.049 . . . . 50.0 112.665 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.417 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 38.8 ttp180 -50.97 -40.4 57.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 113.064 -1.88 . . . . 25.0 113.133 -176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.39 5.91 11.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.752 -0.658 . . . . 50.0 110.893 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 6.0 t60 57.78 34.62 24.64 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.878 0.847 . . . . 25.0 112.215 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.1 p -75.59 -8.5 56.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.311 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.35 13.92 67.24 Favored Glycine 0 CA--C 1.511 -0.213 0 N-CA-C 108.913 -1.675 . . . . 25.0 108.913 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.6 p -154.5 136.35 14.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.022 -1.089 . . . . 25.0 108.221 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -94.45 127.11 40.15 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -79.31 -168.58 36.01 Favored Glycine 0 C--O 1.198 -2.136 0 N-CA-C 109.533 -1.427 . . . . 25.0 109.533 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -61.91 -57.63 0.5 Allowed 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-N 120.609 2.204 . . . . 25.0 113.663 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.14 -18.71 64.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.748 0.785 . . . . 25.0 110.493 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.417 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.3 mt-10 -88.3 -43.95 11.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.489 -0.778 . . . . 50.0 110.268 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.3 t80 -59.57 -40.5 87.56 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 123.269 0.628 . . . . 25.0 110.959 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -23.34 66.22 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.71 -0.677 . . . . 25.0 109.901 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.6 -33.7 21.61 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.0 t -62.59 -45.38 93.17 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.68 0.752 . . . . 25.0 109.48 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.36 -18.75 60.15 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 116.087 1.884 . . . . 25.0 116.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.85 -37.32 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.405 -0.961 . . . . 25.0 108.405 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 22.6 t -73.91 -6.92 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.496 -0.775 . . . . 25.0 112.224 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.15 -12.03 14.86 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.042 0.214 . . . . 25.0 110.975 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.5 43.14 8.67 Favored Glycine 0 C--O 1.221 -0.661 0 C-N-CA 118.535 -1.793 . . . . 25.0 111.413 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.9 164.99 0.22 Allowed 'General case' 0 C--O 1.212 -0.911 0 N-CA-C 118.401 2.741 . . . . 25.0 118.401 178.285 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -91.71 12.65 20.55 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.519 0.676 . . . . 25.0 111.593 -176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.14 168.63 23.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.515 -0.766 . . . . 25.0 110.431 -177.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -150.23 -164.4 11.83 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 109.898 -1.281 . . . . 25.0 109.898 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -87.75 15.09 7.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.288 0.566 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.39 165.23 45.67 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.94 -14.47 23.84 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 116.007 -2.196 . . . . 25.0 114.198 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -86.9 -46.6 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.07 -33.43 85.4 Favored Glycine 0 C--O 1.208 -1.484 0 C-N-CA 120.467 -0.873 . . . . 25.0 114.057 -175.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -66.38 -26.27 67.18 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 118.555 1.177 . . . . 25.0 110.7 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.98 -40.23 39.86 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.499 -0.75 . . . . 25.0 109.161 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -71.28 -34.77 70.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.665 -0.698 . . . . 25.0 110.157 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -43.56 87.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 174.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.4 70.89 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.576 -0.449 . . . . 25.0 111.877 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -62.61 -40.23 96.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.232 -0.655 . . . . 25.0 109.232 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.9 mt -71.99 -41.31 68.41 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 N-CA-C 109.288 -0.634 . . . . 25.0 109.288 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -26.96 42.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.54 0.686 . . . . 25.0 110.646 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.8 t -77.3 -30.54 54.23 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.652 -0.704 . . . . 25.0 111.948 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.6 pt -90.66 -23.57 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.919 -0.488 . . . . 25.0 112.306 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.515 HG23 HG22 ' A' ' 807' ' ' VAL . 32.8 m -92.32 24.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 122.306 1.05 . . . . 25.0 109.922 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -121.56 61.14 11.46 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 114.648 -1.16 . . . . 25.0 109.305 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.51 -7.58 21.36 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 114.565 0.948 . . . . 25.0 114.565 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -107.51 -2.46 20.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 55.79 41.73 29.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.925 0.89 . . . . 25.0 113.305 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.445 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.97 -7.55 16.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.641 -1.163 . . . . 25.0 111.087 177.426 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.19 22.48 65.35 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 121.105 -0.569 . . . . 25.0 113.781 177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.445 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.07 153.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 -179.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.515 HG22 HG23 ' A' ' 799' ' ' VAL . 47.7 t -94.29 125.56 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.3 p -105.56 167.73 9.56 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.631 -0.713 . . . . 25.0 111.814 -176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.455 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.2 -42.82 61.15 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 178.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.71 -16.95 60.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.984 0.421 . . . . 25.0 110.556 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.33 -36.93 18.97 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 121.215 0.531 . . . . 25.0 111.366 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.455 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.7 m-85 -59.19 -34.24 71.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.441 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.455 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.9 mm -62.35 -31.65 52.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 CA-C-O 121.546 0.688 . . . . 25.0 110.371 -174.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -49.43 -47.5 48.03 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.881 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -73.0 -42.35 63.36 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.812 0.339 . . . . 25.0 110.91 176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -29.65 51.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 27.9 t -81.24 -19.75 42.48 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 120.634 -1.291 . . . . 25.0 110.762 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -73.27 -21.52 60.59 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.97 -17.27 2.41 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.957 1.303 . . . . 25.0 113.106 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 66.6 p -75.05 -0.94 20.62 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.155 0.798 . . . . 25.0 113.155 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -106.67 146.65 30.51 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 122.567 0.347 . . . . 25.0 110.98 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.97 143.66 57.8 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.346 0.498 . . . . 25.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.44 171.47 16.01 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 173.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -84.15 -37.35 22.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.408 0.623 . . . . 25.0 110.774 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -21.59 64.39 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.074 0.549 . . . . 25.0 110.382 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -65.9 -20.36 66.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.965 -0.562 . . . . 25.0 111.175 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -59.94 -34.88 73.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.826 0.822 . . . . 25.0 109.976 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.17 -40.99 86.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.649 -0.705 . . . . 25.0 111.807 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.52 -35.67 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 -175.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 39.6 ttp -69.71 -15.12 63.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 25.0 111.606 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.29 -19.4 8.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.593 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 94.7 p -52.04 -27.76 14.85 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.801 1.037 . . . . 25.0 113.801 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.29 -22.75 67.07 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.554 1.07 . . . . 25.0 112.856 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -36.67 43.65 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -68.42 -42.84 84.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.09 -45.07 95.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.61 -36.99 81.88 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.758 0.789 . . . . 25.0 109.018 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.93 -98.02 1.8 Allowed Glycine 0 C--O 1.22 -0.735 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -173.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -124.37 2.5 8.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -69.41 151.08 46.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -80.19 1.4 28.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -151.03 160.49 43.89 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 105.959 -1.867 . . . . 25.0 105.959 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -110.4 149.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 61.3 p -87.99 150.68 23.29 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 105.528 -2.027 . . . . 25.0 105.528 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.2 mtt -54.96 -35.34 64.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.533 0.683 . . . . 25.0 109.693 174.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -71.83 -22.38 61.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -69.43 -37.02 77.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.963 -0.46 . . . . 25.0 109.821 175.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 32.8 mt -72.77 -37.96 67.47 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -80.57 33.35 0.31 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.328 0.651 . . . . 25.0 110.586 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -121.46 -37.08 2.96 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 105.582 -2.007 . . . . 25.0 105.582 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.512 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 25.7 pt-20 -103.39 -17.77 15.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 113.948 -1.478 . . . . 25.0 108.762 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.512 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.1 mt -124.6 84.96 56.9 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 116.264 -0.425 . . . . 25.0 111.876 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -63.09 -22.22 73.18 Favored 'Trans proline' 0 CA--C 1.583 2.95 0 C-N-CA 114.144 -3.437 . . . . 25.0 118.466 164.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.582 ' HB3' ' H ' ' A' ' 744' ' ' SER . 35.0 Cg_endo -82.91 -166.42 0.38 Allowed 'Trans proline' 0 C--N 1.366 1.487 0 N-CA-C 116.802 1.808 . . . . 25.0 116.802 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.74 -32.22 13.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.182 -1.372 . . . . 25.0 114.659 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -55.34 -30.97 61.29 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.713 -0.221 . . . . 25.0 111.471 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 852' ' ' LEU . . . -66.45 -51.33 58.02 Favored 'General case' 0 C--O 1.221 -0.405 0 O-C-N 121.39 -0.819 . . . . 25.0 111.554 174.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.92 -34.84 77.4 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.499 -0.48 . . . . 25.0 110.944 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -51.99 66.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.585 174.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.5 m -62.75 -44.11 97.06 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-O 120.489 0.185 . . . . 25.0 110.821 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 32.1 mt -61.4 -41.7 90.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 122.804 0.442 . . . . 25.0 111.142 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -66.96 -41.45 86.86 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.901 -0.59 . . . . 25.0 111.356 -175.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.95 -10.18 58.92 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.607 -178.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 0.3 OUTLIER -74.31 153.31 39.4 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 121.642 -0.661 . . . . 25.0 112.535 -178.423 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.686 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -72.52 137.32 80.7 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.028 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.99 91.77 1.17 Allowed 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 124.81 3.673 . . . . 25.0 115.328 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -92.02 104.32 16.73 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.496 0.665 . . . . 25.0 109.702 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 48.9 p -139.69 154.56 47.51 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 121.911 -0.493 . . . . 25.0 109.947 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 169.82 173.77 37.55 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 108.017 -2.033 . . . . 25.0 108.017 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.31 -21.51 19.9 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.876 2.384 . . . . 25.0 113.555 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.92 -9.61 33.65 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 124.39 1.076 . . . . 25.0 108.679 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 9.2 t -99.65 -172.09 2.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.465 -1.243 . . . . 25.0 107.87 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.42 156.36 49.16 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -73.61 3.96 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 N-CA-C 113.868 0.68 . . . . 25.0 113.868 -174.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -132.46 47.83 0.99 Allowed Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.231 -0.76 . . . . 25.0 112.456 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.85 138.35 49.83 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 9.7 mt -141.95 152.56 43.61 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.721 0.267 . . . . 25.0 111.721 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.686 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 26.7 t0 -89.11 107.72 19.2 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.42 0.628 . . . . 25.0 110.243 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.8 -32.89 70.12 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.926 -1.034 . . . . 25.0 112.0 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 15.0 ptt? -91.45 -26.55 18.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.688 0.995 . . . . 25.0 113.688 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -103.09 17.22 24.59 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.183 0.516 . . . . 25.0 110.499 178.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.517 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.4 p90 -51.93 158.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 177.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 49.1 m -79.94 119.06 22.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.299 177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 73.1 p -75.01 0.82 14.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.099 0.476 . . . . 25.0 111.369 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -107.31 -90.51 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.89 -0.596 . . . . 25.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 3.3 tp -155.71 172.41 18.36 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.432 -0.349 . . . . 25.0 110.895 -171.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . 0.458 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 0.9 OUTLIER -64.98 -23.53 67.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.35 -0.841 . . . . 25.0 111.712 173.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 132.11 176.25 14.33 Favored Glycine 0 N--CA 1.452 -0.253 0 N-CA-C 111.104 -0.798 . . . . 25.0 111.104 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -141.58 -31.31 0.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.883 0.473 . . . . 25.0 111.832 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 72.3 m -157.63 -105.05 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.402 0.281 . . . . 25.0 110.386 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -90.93 8.61 34.26 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--O 1.256 1.439 0 N-CA-C 104.468 -2.419 . . . . 25.0 104.468 -178.662 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 N-CA-C 111.914 -0.474 . . . . 25.0 111.914 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 75.0 m -152.06 122.51 7.31 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 102.672 -3.084 . . . . 25.0 102.672 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 53.4 p -38.77 -97.36 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 117.712 2.486 . . . . 25.0 117.712 -165.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.34 147.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 O-C-N 121.269 -0.894 . . . . 25.0 110.893 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 76.6 p -97.35 164.65 12.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.223 0.535 . . . . 25.0 109.867 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -27.37 68.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.144 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -84.15 -34.92 23.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.827 -0.349 . . . . 25.0 110.298 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -60.68 -41.08 94.37 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 120.804 -0.358 . . . . 25.0 110.67 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.427 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.1 ptp -73.17 -21.18 60.74 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.084 -0.646 . . . . 25.0 109.273 -178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -30.21 24.81 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.629 -0.428 . . . . 25.0 111.579 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -83.0 -38.11 23.07 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.571 -0.851 . . . . 25.0 108.956 173.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 66.9 t80 -72.42 -22.42 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -19.56 63.49 Favored 'General case' 0 C--O 1.197 -1.673 0 O-C-N 121.361 -0.837 . . . . 25.0 109.248 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.0 -22.79 63.09 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.361 0.982 . . . . 25.0 110.719 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -13.7 57.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.925 -0.485 . . . . 25.0 110.613 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -23.62 50.46 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -111.25 -14.93 13.74 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 111.934 0.346 . . . . 25.0 111.934 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -67.49 -49.25 64.37 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.507 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 11.3 m-85 -104.13 1.2 30.51 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.529 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.415 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 18.3 t0 -56.17 104.46 0.14 Allowed 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 122.525 1.155 . . . . 50.0 112.269 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 29.7 ttp180 -51.33 -42.37 61.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.483 -1.69 . . . . 25.0 112.242 -175.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.59 5.69 11.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.153 -0.931 . . . . 50.0 111.254 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 67.9 m80 56.0 34.37 23.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.0 p -70.75 -10.82 60.3 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.06 15.35 62.88 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 108.159 -1.976 . . . . 25.0 108.159 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.58 136.4 14.5 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.004 -1.098 . . . . 25.0 108.292 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -93.8 127.45 39.55 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 108.09 -1.078 . . . . 25.0 108.09 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.427 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.35 -168.48 33.26 Favored Glycine 0 C--O 1.203 -1.81 0 N-CA-C 109.793 -1.323 . . . . 25.0 109.793 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -62.94 -55.78 0.73 Allowed 'Trans proline' 0 C--N 1.328 -0.541 0 CA-C-N 120.31 2.055 . . . . 25.0 113.964 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -72.61 -16.83 61.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 25.0 110.331 -177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.433 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 12.7 mt-10 -86.39 -45.06 11.53 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.587 -0.733 . . . . 50.0 110.085 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.46 ' CG ' HG21 ' A' ' 807' ' ' VAL . 26.9 t80 -58.82 -41.78 87.66 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 123.365 0.666 . . . . 25.0 111.041 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -24.13 67.44 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 115.53 -0.759 . . . . 25.0 110.63 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.29 -33.38 23.98 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.39 -46.36 88.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 122.032 0.92 . . . . 25.0 109.501 177.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 20.3 mt -59.97 -18.87 48.85 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 -178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.14 -38.42 80.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.022 -0.733 . . . . 25.0 109.022 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -74.24 -8.82 57.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.846 -0.615 . . . . 25.0 112.32 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.52 -17.35 15.23 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.125 0.266 . . . . 25.0 110.353 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.34 53.0 3.06 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 118.895 -1.621 . . . . 25.0 110.505 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.401 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -61.75 164.67 5.94 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 116.752 2.131 . . . . 25.0 116.752 178.457 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -92.94 12.29 24.38 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.536 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.51 169.51 21.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.843 -0.617 . . . . 25.0 111.139 -177.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.34 -170.67 16.47 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.152 -1.979 . . . . 25.0 108.152 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.8 24.16 2.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.589 0.694 . . . . 25.0 110.461 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.48 166.92 25.23 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -73.78 -14.49 24.25 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 115.501 -2.532 . . . . 25.0 113.966 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -87.09 -46.08 10.12 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.74 92.5 Favored Glycine 0 C--O 1.207 -1.535 0 C-N-CA 120.955 -0.641 . . . . 25.0 113.352 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.89 -25.48 66.41 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 118.116 0.958 . . . . 25.0 110.748 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.35 31.24 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.412 -0.805 . . . . 25.0 109.087 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.29 -35.72 76.31 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.441 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.1 OUTLIER -62.3 -42.39 99.32 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 175.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.84 -31.13 71.55 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.577 -0.449 . . . . 25.0 111.922 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -61.46 -43.53 98.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.5 mt -69.99 -41.51 79.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 108.898 -0.778 . . . . 25.0 108.898 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -27.78 36.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.454 0.645 . . . . 25.0 110.74 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 10.2 t -78.2 -29.79 48.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.025 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.1 pt -90.19 -23.42 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 O-C-N 122.027 -0.421 . . . . 25.0 111.698 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.548 HG23 HG22 ' A' ' 807' ' ' VAL . 29.4 m -92.8 23.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 122.279 1.037 . . . . 25.0 109.672 177.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -122.6 57.95 10.21 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 114.44 -1.255 . . . . 25.0 108.83 170.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.93 -5.59 17.39 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 117.367 -1.288 . . . . 25.0 114.39 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.28 -3.15 24.62 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 108.455 -0.943 . . . . 25.0 108.455 -177.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 56.18 41.57 29.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.984 0.914 . . . . 25.0 113.274 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.03 -8.4 16.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.598 -1.183 . . . . 25.0 110.659 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.2 23.13 63.95 Favored Glycine 0 N--CA 1.458 0.151 0 C-N-CA 121.185 -0.531 . . . . 25.0 113.845 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.414 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.34 154.92 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -178.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 799' ' ' VAL . 47.2 t -96.27 124.15 48.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 109.862 -0.422 . . . . 25.0 109.862 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.96 169.37 8.59 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.471 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.61 -43.57 46.63 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 114.042 1.127 . . . . 25.0 114.042 179.27 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.08 -16.94 61.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.194 0.521 . . . . 25.0 110.684 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.07 -37.57 17.31 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.617 -0.719 . . . . 25.0 111.31 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.457 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 63.2 m-85 -58.96 -33.21 70.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.363 0.601 . . . . 25.0 111.454 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.427 HG21 ' HE2' ' A' ' 748' ' ' MET . 10.3 mm -62.08 -31.99 53.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.808 0.813 . . . . 25.0 110.466 -175.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -51.11 -43.7 61.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.836 -1.075 . . . . 25.0 110.997 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -75.78 -43.66 45.31 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 120.868 0.366 . . . . 25.0 110.614 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.423 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.8 -30.83 46.66 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 114.276 1.213 . . . . 25.0 114.276 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 13.9 t -78.35 -19.74 52.8 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.313 -1.492 . . . . 25.0 111.108 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -77.93 -21.45 51.08 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.47 -10.43 0.95 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.463 1.505 . . . . 25.0 113.399 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.9 p -73.99 -3.36 28.73 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.784 -0.573 . . . . 25.0 112.118 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -107.27 159.04 16.65 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.136 0.574 . . . . 25.0 110.823 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.12 152.23 39.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.991 -0.55 . . . . 25.0 111.308 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.19 164.25 30.78 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.49 -46.99 71.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.484 1.135 . . . . 25.0 110.094 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 12.4 p -64.16 -18.45 64.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.368 -1.287 . . . . 25.0 112.614 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.419 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.66 -20.53 48.93 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.33 0.863 . . . . 25.0 113.33 -175.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -56.72 -37.09 70.46 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.847 0.832 . . . . 25.0 110.293 176.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -68.92 -40.87 78.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.135 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.0 p -78.78 -30.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.234 -0.586 . . . . 25.0 109.784 -175.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 62.4 mtt -64.93 -18.15 64.98 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.808 -0.558 . . . . 25.0 111.774 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.85 -23.7 63.6 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.876 -0.515 . . . . 25.0 110.919 174.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 98.4 p -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.963 0.727 . . . . 25.0 112.963 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -62.31 -26.07 68.22 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.924 -0.485 . . . . 25.0 111.301 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.717 -0.615 . . . . 25.0 109.382 177.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.6 -40.13 62.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -44.17 96.97 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.674 -0.694 . . . . 25.0 111.534 178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.97 -43.36 71.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.415 0.626 . . . . 25.0 109.577 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.03 -83.38 1.38 Allowed Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.048 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.01 -27.98 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.186 0.81 . . . . 25.0 113.186 -175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.451 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 14.6 ptmt -71.92 152.23 42.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.043 0.449 . . . . 25.0 110.744 -173.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -82.48 -6.67 59.45 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 116.091 -0.504 . . . . 25.0 112.252 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.439 ' CD2' ' HB1' ' A' ' 876' ' ' ALA . 36.9 p90 -138.26 162.8 33.39 Favored 'General case' 0 C--O 1.213 -0.868 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -115.51 149.62 17.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 105.492 -2.04 . . . . 25.0 105.492 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.5 p -88.87 156.76 18.73 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 106.697 -1.594 . . . . 25.0 106.697 174.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.7 mtt -58.7 -32.33 69.06 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.87 -34.5 77.94 Favored 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 116.012 -0.54 . . . . 25.0 112.341 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -43.25 91.9 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.565 -0.531 . . . . 25.0 109.565 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.91 -39.26 90.41 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.23 -0.655 . . . . 25.0 109.23 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.71 8.08 3.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -109.57 -37.75 5.62 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -82.12 -29.16 31.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.56 89.28 47.25 Favored Pre-proline 0 CA--C 1.534 0.356 0 C-N-CA 122.597 0.359 . . . . 25.0 111.559 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -54.15 -35.44 82.33 Favored 'Trans proline' 0 CA--C 1.575 2.562 0 N-CA-C 117.453 2.059 . . . . 25.0 117.453 164.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -79.07 -169.94 0.9 Allowed 'Trans proline' 0 C--N 1.365 1.412 0 N-CA-C 116.542 1.708 . . . . 25.0 116.542 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -59.75 -16.42 27.45 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -58.65 -26.21 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.746 -0.596 . . . . 25.0 109.97 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.94 -48.81 67.45 Favored 'General case' 0 C--O 1.223 -0.321 0 O-C-N 121.453 -0.78 . . . . 25.0 111.525 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.87 -32.98 70.14 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.347 -0.541 . . . . 25.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -52.62 63.42 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.528 -0.76 . . . . 25.0 109.0 172.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 97.6 m -62.39 -43.01 99.83 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.385 -0.126 . . . . 25.0 110.753 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 51.4 mt -58.22 -40.58 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.2 0.524 . . . . 25.0 110.406 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . 0.529 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -69.14 -18.42 63.95 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -110.43 -2.41 16.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.984 0.421 . . . . 25.0 109.993 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.504 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -86.44 155.07 20.7 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.119 -0.363 . . . . 25.0 111.596 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -77.91 142.17 64.55 Favored Pre-proline 0 C--O 1.22 -0.5 0 C-N-CA 120.503 -0.479 . . . . 25.0 109.873 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.6 93.34 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 123.954 3.102 . . . . 25.0 114.777 -172.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -95.58 98.83 10.8 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 38.8 p -136.24 77.86 1.68 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.743 0.783 . . . . 25.0 109.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . -107.47 173.27 18.54 Favored Glycine 0 C--O 1.226 -0.398 0 N-CA-C 109.75 -1.34 . . . . 25.0 109.75 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.48 -18.83 22.5 Favored 'Trans proline' 0 CA--C 1.531 0.332 0 C-N-CA 122.684 2.256 . . . . 25.0 113.011 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -88.69 -9.99 50.06 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.593 1.157 . . . . 25.0 108.243 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 37.4 m -111.38 -179.43 3.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.849 -1.523 . . . . 25.0 109.159 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.44 156.27 35.48 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 106.231 -1.766 . . . . 25.0 106.231 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.37 0.57 7.83 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 O-C-N 122.299 0.631 . . . . 25.0 113.54 -176.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -123.51 48.76 0.93 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.719 -0.952 . . . . 25.0 110.719 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' ' 842' ' ' TYR . . . -112.75 142.72 45.05 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.792 -1.188 . . . . 25.0 107.792 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -142.03 147.07 36.26 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.125 0.17 . . . . 25.0 110.779 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 28.0 t0 -85.71 108.02 17.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.294 0.568 . . . . 25.0 110.419 177.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.972 -1.013 . . . . 25.0 111.828 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -89.24 -29.01 19.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.6 t -102.89 20.32 17.68 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.152 0.501 . . . . 25.0 109.931 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.504 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 12.0 p90 -47.52 155.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.983 1.475 . . . . 25.0 114.983 177.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 16.9 m -71.23 130.37 41.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.738 -1.119 . . . . 25.0 111.597 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 69.5 p -82.9 8.71 11.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.447 0.642 . . . . 25.0 110.385 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -134.98 145.21 47.9 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.14 143.91 57.56 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.052 -0.976 . . . . 25.0 109.352 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . 0.529 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 5.4 p90 -23.5 -58.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 118.3 2.704 . . . . 25.0 118.3 176.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 78.85 -164.56 50.41 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 -175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -133.21 151.39 51.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 74.1 m -154.82 170.52 21.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 57.33 43.36 23.54 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 124.312 1.008 . . . . 25.0 112.104 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.13 -0.941 . . . . 25.0 108.726 177.287 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 111.556 -0.617 . . . . 25.0 111.556 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.1 t -159.09 -128.36 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 73.8 p -157.0 -145.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -60.4 149.77 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.287 0.565 . . . . 25.0 110.807 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 59.7 p -97.45 168.22 10.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.964 0.411 . . . . 25.0 110.166 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -27.87 67.17 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.153 0.501 . . . . 25.0 109.898 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -80.8 -39.83 26.07 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.797 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -60.88 -40.43 92.97 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.5 -20.97 59.79 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.346 -0.612 . . . . 25.0 109.346 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -31.9 25.84 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.801 -0.36 . . . . 25.0 111.579 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.5 -37.48 21.25 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 119.78 -0.768 . . . . 25.0 109.24 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 49.9 t80 -71.76 -21.94 61.67 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.549 0.944 . . . . 25.0 113.549 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -19.53 63.11 Favored 'General case' 0 C--O 1.2 -1.516 0 O-C-N 121.175 -0.953 . . . . 25.0 109.0 174.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.01 64.27 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.825 0.739 . . . . 25.0 110.803 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -15.85 58.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.915 0.388 . . . . 25.0 111.009 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.7 -23.64 43.64 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.449 1.277 . . . . 25.0 114.449 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -4.06 11.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.766 0.317 . . . . 25.0 111.427 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -69.66 -55.33 10.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.855 0.359 . . . . 25.0 111.834 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.402 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.6 m-85 -102.59 2.72 36.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.429 -0.35 . . . . 25.0 111.389 -177.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 21.4 t0 -56.11 104.43 0.14 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.136 0.969 . . . . 50.0 113.035 -177.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.473 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 43.8 ttp180 -49.09 -43.73 41.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 113.221 -1.809 . . . . 25.0 113.131 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.65 4.68 13.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 50.0 110.321 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 5.4 t60 58.3 34.5 24.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 122.018 0.913 . . . . 25.0 111.752 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.5 p -74.63 -7.69 54.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.77 . . . . 25.0 112.078 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.1 14.08 67.55 Favored Glycine 0 CA--C 1.509 -0.319 0 N-CA-C 108.947 -1.661 . . . . 25.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.1 p -154.48 136.39 14.57 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.034 -1.083 . . . . 25.0 108.233 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -91.43 126.83 36.64 Favored 'General case' 0 C--O 1.202 -1.412 0 O-C-N 120.941 -1.099 . . . . 25.0 108.33 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.463 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -78.44 -169.06 34.62 Favored Glycine 0 C--O 1.199 -2.079 0 N-CA-C 110.188 -1.165 . . . . 25.0 110.188 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -62.32 -57.52 0.47 Allowed 'Trans proline' 0 C--N 1.328 -0.502 0 CA-C-N 120.359 2.08 . . . . 25.0 113.751 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.52 -17.39 63.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.632 0.73 . . . . 25.0 110.091 -178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.473 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 9.7 mt-10 -87.93 -44.8 10.77 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.777 -0.647 . . . . 50.0 110.399 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.464 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.4 t80 -60.04 -39.74 86.96 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.329 0.652 . . . . 25.0 110.904 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -23.93 66.75 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 115.857 -0.611 . . . . 25.0 110.056 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.5 -35.16 21.33 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.413 -0.588 . . . . 25.0 109.413 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.402 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 46.8 t -62.04 -44.74 96.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.985 0.898 . . . . 25.0 109.248 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.04 -18.7 59.21 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 115.885 1.809 . . . . 25.0 115.885 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.42 -40.76 89.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 51.2 m -79.28 -5.78 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.698 -0.683 . . . . 25.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.427 HD12 ' CE ' ' A' ' 816' ' ' MET . 4.1 mm? -104.37 -1.0 27.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.213 -0.449 . . . . 25.0 110.271 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 74.58 42.94 31.31 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 118.923 -1.608 . . . . 25.0 112.648 171.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -57.34 164.34 1.87 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 121.537 3.903 . . . . 25.0 121.537 -175.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.586 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.2 t70 -76.48 -0.01 21.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.08 2.552 . . . . 25.0 111.617 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.77 177.47 5.57 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.853 0 CA-C-N 115.335 -0.848 . . . . 25.0 111.194 -171.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -156.58 -172.65 24.13 Favored Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 104.897 -3.281 . . . . 25.0 104.897 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.56 19.91 0.97 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.342 1.071 . . . . 25.0 111.094 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -68.52 149.03 98.13 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 106.565 -1.642 . . . . 25.0 106.565 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.77 -25.87 81.95 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 N-CA-C 113.615 0.583 . . . . 25.0 113.615 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -81.89 -43.16 18.54 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.276 -1.009 . . . . 25.0 108.276 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.77 -33.63 87.76 Favored Glycine 0 C--O 1.207 -1.578 0 C-N-CA 120.829 -0.701 . . . . 25.0 113.68 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.99 -25.18 64.39 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 118.497 1.148 . . . . 25.0 110.636 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.64 -37.43 50.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.585 -0.894 . . . . 25.0 108.585 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -73.96 -31.24 62.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.846 0.832 . . . . 25.0 110.506 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -42.11 97.86 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.171 -1.418 . . . . 25.0 107.171 172.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.9 -32.16 71.59 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -58.24 -37.43 74.89 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 172.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.2 -41.77 23.13 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 O-C-N 122.056 -0.402 . . . . 25.0 110.04 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -26.1 39.27 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.565 0.698 . . . . 25.0 110.826 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 25.5 t -76.47 -31.69 57.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.709 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 17.1 pt -92.36 -23.65 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.709 0.633 . . . . 25.0 112.709 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.497 HG23 HG22 ' A' ' 807' ' ' VAL . 31.3 m -91.87 24.27 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 122.32 1.057 . . . . 25.0 109.728 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -121.16 57.48 6.53 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.616 -1.174 . . . . 25.0 109.347 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.03 -7.82 22.25 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 117.458 -1.228 . . . . 25.0 112.907 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -97.42 -9.6 27.0 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-O 122.53 1.157 . . . . 25.0 110.494 -173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 53.65 44.69 29.37 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 112.011 -2.359 . . . . 25.0 113.251 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.21 -8.34 13.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.162 -1.381 . . . . 25.0 110.3 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.34 22.69 62.22 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 121.102 -0.57 . . . . 25.0 113.114 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.43 156.91 21.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.497 HG22 HG23 ' A' ' 799' ' ' VAL . 48.7 t -96.62 123.75 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.949 0.404 . . . . 25.0 109.926 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 7.4 p -102.11 170.12 8.31 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.933 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -51.34 -44.08 61.93 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 176.38 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.33 -16.02 60.44 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.261 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.4 -36.4 20.7 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 121.071 0.462 . . . . 25.0 111.485 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.466 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 66.9 m-85 -59.58 -33.5 71.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.184 0.516 . . . . 25.0 111.935 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 12.0 mm -62.9 -31.18 51.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.573 0.701 . . . . 25.0 110.402 -175.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -51.89 -40.52 60.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.309 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.586 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.1 t80 -78.22 -43.85 27.27 Favored 'General case' 0 C--O 1.208 -1.094 0 O-C-N 121.82 -0.55 . . . . 25.0 110.112 174.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.427 ' CE ' HD12 ' A' ' 778' ' ' LEU . 1.5 tpt -61.0 -21.75 63.86 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 116.258 1.947 . . . . 25.0 116.258 -176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 41.2 t -80.02 -19.6 47.34 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 120.681 -1.262 . . . . 25.0 109.141 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -77.46 -19.79 55.43 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.614 -0.721 . . . . 25.0 110.444 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.58 -20.38 2.97 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 121.827 0.822 . . . . 25.0 111.591 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 77.9 p -66.46 3.42 0.97 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.354 1.242 . . . . 25.0 114.354 177.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -123.7 150.48 44.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.327 0.651 . . . . 25.0 110.057 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.65 148.35 33.22 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.609 1.337 . . . . 25.0 114.609 -175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 172.57 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 106.776 -1.564 . . . . 25.0 106.776 171.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -76.09 -35.06 59.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.785 0.802 . . . . 25.0 109.594 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -21.75 62.91 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.52 -0.764 . . . . 25.0 111.147 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -67.84 -21.95 65.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.606 -0.27 . . . . 25.0 111.152 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -60.16 -33.27 71.95 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.736 0.779 . . . . 25.0 109.962 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -68.86 -37.81 79.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.626 . . . . 25.0 111.915 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.22 -37.58 11.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 -174.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -78.08 -0.87 29.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.04 0.448 . . . . 25.0 111.363 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.74 -19.25 3.94 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.391 0.676 . . . . 25.0 111.528 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 79.9 p -50.23 -28.6 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.447 0.906 . . . . 25.0 113.447 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -22.78 67.08 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.503 1.047 . . . . 25.0 112.843 176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -40.1 58.07 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.975 -1.078 . . . . 25.0 108.385 175.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -66.85 -42.97 89.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.079 -0.711 . . . . 25.0 109.079 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.18 -45.52 93.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.494 -0.321 . . . . 25.0 111.859 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -67.34 -46.93 71.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.76 0.79 . . . . 25.0 109.407 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.05 -94.02 1.1 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.216 -0.754 . . . . 25.0 111.216 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -114.79 -3.21 12.81 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.127 0.463 . . . . 25.0 112.23 -173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -86.46 152.7 22.45 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.369 -0.974 . . . . 25.0 108.369 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -88.06 0.66 55.7 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.91 1.078 . . . . 25.0 113.91 -174.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -146.59 159.92 42.83 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.304 -2.109 . . . . 25.0 105.304 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.4 tp -110.43 148.5 13.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.1 p -86.67 151.2 23.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.704 -1.961 . . . . 25.0 105.704 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 62.6 mtt -56.06 -33.2 64.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.085 0.469 . . . . 25.0 109.849 173.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.87 -34.08 77.13 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 115.749 -0.66 . . . . 25.0 112.708 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -69.16 -38.12 78.58 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 122.142 -0.349 . . . . 25.0 110.849 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.7 -39.87 80.29 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 121.938 0.875 . . . . 25.0 108.802 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -80.72 31.87 0.3 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.256 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -128.24 -34.65 2.06 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 -176.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.502 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -101.13 -18.24 16.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.238 -1.346 . . . . 25.0 109.021 177.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.502 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 11.7 mt -118.25 82.71 18.85 Favored Pre-proline 0 N--CA 1.467 0.418 0 CA-C-O 120.838 0.351 . . . . 25.0 111.758 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.64 -33.43 79.36 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 117.336 2.014 . . . . 25.0 117.336 166.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.46 -171.98 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 N-CA-C 116.633 1.743 . . . . 25.0 116.633 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -16.71 17.49 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.819 1.044 . . . . 25.0 113.819 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -56.29 -29.72 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.078 -0.389 . . . . 25.0 110.541 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.19 -50.0 72.02 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.972 -0.455 . . . . 25.0 110.908 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -73.32 -32.35 64.54 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 120.365 -0.534 . . . . 25.0 111.237 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -52.42 63.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.463 -0.79 . . . . 25.0 109.351 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.93 -43.88 97.59 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 110.172 -0.307 . . . . 25.0 110.172 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 46.1 mt -59.32 -39.61 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.974 0.416 . . . . 25.0 110.758 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -68.36 -24.21 64.77 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.875 1.065 . . . . 25.0 113.875 -175.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.05 -7.76 17.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.311 0.577 . . . . 25.0 110.554 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.464 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.1 ttm -79.79 150.4 30.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.867 -0.52 . . . . 25.0 110.246 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -66.49 130.4 94.15 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.058 -173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.71 88.76 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.616 2.21 . . . . 25.0 114.295 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -92.0 98.03 11.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 41.5 p -137.37 77.79 1.66 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' ' 872' ' ' SER . . . -105.69 178.84 23.3 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 109.274 -1.53 . . . . 25.0 109.274 176.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.18 -19.93 25.45 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.423 2.082 . . . . 25.0 113.059 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -90.24 -11.58 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 124.53 1.132 . . . . 25.0 108.397 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . 0.427 ' HB2' ' H ' ' A' ' 869' ' ' GLY . 19.4 m -104.19 171.37 7.38 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.266 -1.334 . . . . 25.0 109.806 -176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -98.49 155.27 37.01 Favored Pre-proline 0 C--N 1.315 -0.934 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 173.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -76.54 32.53 0.41 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.014 1.809 . . . . 25.0 113.957 -175.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -159.68 42.07 0.46 Allowed Glycine 0 C--O 1.225 -0.428 0 N-CA-C 109.293 -1.523 . . . . 25.0 109.293 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 139.25 48.63 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.224 -1.398 . . . . 25.0 107.224 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.7 mt -141.96 144.51 33.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 110.53 -0.174 . . . . 25.0 110.53 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -85.0 109.52 18.25 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 119.719 -0.792 . . . . 25.0 110.821 177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -69.17 -37.2 78.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.687 -1.142 . . . . 25.0 111.039 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.25 -26.11 21.36 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 113.342 0.867 . . . . 25.0 113.342 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.9 t -102.49 19.05 19.68 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.866 0.365 . . . . 25.0 110.49 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.464 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.6 p90 -47.98 155.35 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.426 1.639 . . . . 25.0 115.426 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 44.0 m -77.8 131.61 37.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.966 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 57.0 p -80.61 -4.18 53.18 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -100.18 145.0 28.55 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.25 150.84 25.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.456 -1.683 . . . . 25.0 106.456 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . 0.414 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 47.8 p90 -45.55 4.99 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 121.12 3.748 . . . . 25.0 121.12 176.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -101.91 21.76 40.78 Favored Glycine 0 C--O 1.226 -0.385 0 O-C-N 121.344 -0.848 . . . . 25.0 113.127 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -67.43 -45.02 77.3 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 117.87 0.835 . . . . 25.0 110.177 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 7.9 t 53.03 31.58 11.35 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.707 1.003 . . . . 25.0 113.707 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -92.06 47.49 1.34 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.393 0.616 . . . . 25.0 110.633 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.251 1.163 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.415 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.383 0 CA-C-O 119.138 -0.812 . . . . 25.0 112.725 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 72.3 p -138.91 -133.59 0.12 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.507 1.154 . . . . 25.0 110.992 -177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 78.3 p -157.16 -160.78 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 104.819 -2.289 . . . . 25.0 104.819 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.58 144.17 11.93 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.512 0.673 . . . . 25.0 110.172 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.423 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 59.5 p -97.58 166.86 11.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.455 -177.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -25.05 65.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.812 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -82.16 -39.45 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.572 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.434 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.8 tp60 -59.47 -42.39 91.93 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 121.011 0.434 . . . . 25.0 110.152 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.5 ptp -73.16 -21.04 60.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 -177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -42.61 25.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 -176.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -79.52 -35.44 40.01 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.199 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 42.7 t80 -70.49 -22.12 62.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -21.66 61.25 Favored 'General case' 0 C--O 1.197 -1.69 0 O-C-N 120.928 -1.108 . . . . 25.0 108.728 175.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -63.11 -22.85 67.14 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.993 0.815 . . . . 25.0 111.43 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -17.2 56.36 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.057 -0.402 . . . . 25.0 111.362 176.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -23.68 45.86 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.58 -8.87 10.37 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 178.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.46 -51.91 45.79 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.062 0.458 . . . . 25.0 112.19 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.473 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 9.2 m-85 -104.05 2.15 31.82 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.354 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 22.1 t0 -56.99 104.44 0.16 Allowed 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.947 0.879 . . . . 50.0 111.783 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.513 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 60.3 mtt180 -58.5 -33.8 70.22 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 114.034 -1.439 . . . . 25.0 113.418 -173.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -115.59 -2.39 12.51 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.638 0.586 . . . . 75.0 110.805 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 2.8 t60 62.73 30.41 16.8 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.406 1.632 . . . . 25.0 115.406 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 56.6 p -69.54 -11.06 60.53 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.85 61.7 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.755 -1.738 . . . . 25.0 108.755 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -154.5 136.32 14.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 113.959 -1.12 . . . . 25.0 108.474 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.89 125.55 41.4 Favored 'General case' 0 C--O 1.195 -1.774 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.93 -167.64 35.66 Favored Glycine 0 C--O 1.196 -2.221 0 N-CA-C 108.917 -1.673 . . . . 25.0 108.917 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -60.67 -60.54 0.25 Allowed 'Trans proline' 0 CA--C 1.534 0.516 0 CA-C-N 120.829 2.314 . . . . 25.0 114.254 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -16.82 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.581 0.705 . . . . 25.0 110.686 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.513 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 13.6 mt-10 -85.37 -45.69 11.66 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.346 -0.612 . . . . 50.0 109.346 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.461 ' CG ' HG21 ' A' ' 807' ' ' VAL . 29.2 t80 -58.67 -42.17 87.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.843 0.857 . . . . 25.0 111.465 -178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -23.04 67.19 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.621 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.53 -34.5 21.51 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 108.76 -0.83 . . . . 25.0 108.76 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.473 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 45.5 t -62.95 -45.6 91.72 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.116 0.96 . . . . 25.0 109.798 176.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.7 mt -59.77 -18.74 45.67 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.764 1.764 . . . . 25.0 115.764 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.55 -40.26 85.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 57.5 m -79.75 -3.34 47.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.018 -0.537 . . . . 25.0 111.744 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.41 -3.85 17.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.405 -0.361 . . . . 25.0 110.642 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . 0.461 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 79.21 47.09 7.73 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 118.598 -1.763 . . . . 25.0 113.105 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.13 159.58 17.14 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 118.409 2.744 . . . . 25.0 118.409 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -86.99 7.83 25.89 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.832 0.825 . . . . 25.0 111.04 -175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.78 -179.61 3.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 114.94 -1.027 . . . . 25.0 109.211 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -171.74 -162.7 24.44 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 107.704 -2.158 . . . . 25.0 107.704 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.09 6.79 5.84 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.26 143.89 98.5 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 107.192 -1.411 . . . . 25.0 107.192 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.62 -22.71 74.26 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 120.536 0.824 . . . . 25.0 113.968 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -85.0 -39.17 18.37 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.02 -34.31 89.63 Favored Glycine 0 C--O 1.206 -1.596 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.506 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -65.55 -27.22 68.28 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 118.003 0.901 . . . . 25.0 110.942 177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.08 -40.09 47.35 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.431 -0.793 . . . . 25.0 109.229 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.16 -33.1 69.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.826 -0.625 . . . . 25.0 109.588 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -42.09 99.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 175.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.08 -31.39 70.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.634 -0.426 . . . . 25.0 111.788 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -60.44 -43.53 96.72 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.262 -0.644 . . . . 25.0 109.262 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 13.2 mt -70.87 -41.46 77.23 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.995 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.09 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 25.0 110.96 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 21.2 t -77.67 -34.35 53.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.103 -0.498 . . . . 25.0 111.89 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.0 pt -83.93 -24.69 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 121.706 -0.621 . . . . 25.0 110.844 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 807' ' ' VAL . 24.6 m -93.39 21.5 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 122.451 1.119 . . . . 25.0 109.38 177.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -122.76 64.33 22.71 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 114.231 -1.349 . . . . 25.0 107.888 167.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 -6.53 19.12 Favored 'Trans proline' 0 C--N 1.348 0.542 0 N-CA-C 114.391 0.881 . . . . 25.0 114.391 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -111.13 -1.82 16.06 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.71 40.91 28.95 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.951 0.901 . . . . 25.0 112.919 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.37 -6.8 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.147 -0.933 . . . . 25.0 110.894 177.5 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.8 20.06 69.11 Favored Glycine 0 N--CA 1.458 0.144 0 C-N-CA 121.229 -0.51 . . . . 25.0 113.857 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -140.06 151.82 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.591 HG22 HG23 ' A' ' 799' ' ' VAL . 53.3 t -91.89 125.6 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -176.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.4 p -104.8 166.75 10.18 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-N 115.537 -0.756 . . . . 25.0 111.778 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.479 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -51.38 -41.65 60.83 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.598 0.962 . . . . 25.0 113.598 177.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -75.21 -17.24 60.39 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.546 -0.462 . . . . 25.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.04 -36.56 18.12 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.249 0.547 . . . . 25.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.479 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.2 m-85 -58.56 -33.85 70.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.462 0.649 . . . . 25.0 110.896 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 11.8 mm -60.52 -32.36 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.729 0 CA-C-N 115.103 -0.953 . . . . 25.0 110.618 -175.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -51.8 -49.56 62.5 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.591 -0.731 . . . . 25.0 110.52 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -69.09 -41.33 77.63 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 121.134 0.493 . . . . 25.0 110.534 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 tpt -62.29 -22.55 66.12 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 30.5 t -82.1 -19.71 39.6 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 121.136 -0.977 . . . . 25.0 109.07 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -20.02 57.81 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.169 174.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.83 -21.76 4.59 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 122.002 0.906 . . . . 25.0 111.52 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 69.1 p -67.19 2.42 1.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -118.82 141.13 48.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.099 0.56 . . . . 25.0 110.507 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.23 140.47 57.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.5 m -150.4 156.72 42.03 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.129 -0.323 . . . . 25.0 110.129 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.48 -47.87 78.32 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.057 0.932 . . . . 25.0 112.177 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . 0.461 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 1.4 p -75.6 -21.58 57.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.427 -0.806 . . . . 25.0 111.537 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.31 -25.55 64.28 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.494 -0.321 . . . . 25.0 110.611 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -58.33 -33.17 69.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.836 0.827 . . . . 25.0 110.145 177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -70.75 -37.6 73.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 5.8 p -76.65 -31.65 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.86 -9.61 46.13 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.292 0.479 . . . . 25.0 112.292 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -55.75 -16.36 4.26 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.731 0.412 . . . . 25.0 111.771 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 89.9 p -50.23 -28.77 8.15 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -22.14 66.64 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.159 -0.963 . . . . 25.0 113.25 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -38.36 53.87 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 175.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.06 -41.88 90.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.06 -47.44 84.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.17 0.433 . . . . 25.0 112.17 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.4 90.23 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 108.825 -0.805 . . . . 25.0 108.825 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.34 -85.87 0.92 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.887 -0.673 . . . . 25.0 111.922 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -115.01 -19.98 10.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.389 0.885 . . . . 25.0 113.389 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -74.57 154.0 38.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.387 0.613 . . . . 25.0 110.401 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -88.01 1.87 53.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -147.63 160.06 43.08 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 105.627 -1.99 . . . . 25.0 105.627 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.9 tp -111.64 149.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 175.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.6 p -88.46 150.22 23.25 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.067 -1.827 . . . . 25.0 106.067 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 65.5 mtt -55.69 -33.28 64.03 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 110.134 -0.321 . . . . 25.0 110.134 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -21.49 59.17 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 112.858 0.688 . . . . 25.0 112.858 -176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.3 -40.01 67.86 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.66 -38.99 92.88 Favored 'General case' 0 C--O 1.212 -0.893 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -80.81 28.38 0.35 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 123.125 0.57 . . . . 25.0 111.377 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -125.82 -39.08 2.15 Favored 'General case' 0 CA--C 1.483 -1.631 0 N-CA-C 106.984 -1.487 . . . . 25.0 106.984 -178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.543 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.4 pt-20 -89.94 -24.11 21.39 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 106.83 -1.544 . . . . 25.0 106.83 174.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.543 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 5.1 mt -122.07 81.04 43.42 Favored Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.92 -0.582 . . . . 25.0 111.339 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.07 -23.75 62.46 Favored 'Trans proline' 0 CA--C 1.583 2.959 0 C-N-CA 114.983 -2.878 . . . . 25.0 118.862 164.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.485 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 32.9 Cg_endo -84.65 -165.1 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.561 0 N-CA-C 117.306 2.002 . . . . 25.0 117.306 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -51.19 -29.49 14.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 114.249 -1.342 . . . . 25.0 113.934 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -57.63 -31.46 66.28 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.569 -0.452 . . . . 25.0 111.936 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -65.8 -46.78 77.38 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.261 -0.899 . . . . 25.0 111.108 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.52 -34.48 74.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 120.191 -0.604 . . . . 25.0 111.097 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -51.29 69.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.636 . . . . 25.0 109.393 173.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.82 -45.33 93.1 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.371 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 43.9 mt -59.83 -40.72 83.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 122.506 0.323 . . . . 25.0 110.435 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -65.23 -33.52 76.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -8.67 35.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.514 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 4.4 ttm -79.2 152.92 30.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.506 -0.746 . . . . 25.0 112.007 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.02 134.51 89.68 Favored Pre-proline 0 CA--C 1.532 0.288 0 C-N-CA 120.083 -0.647 . . . . 25.0 109.984 -173.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.07 89.57 1.16 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 124.088 3.192 . . . . 25.0 114.462 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -91.23 103.04 15.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.764 0.792 . . . . 25.0 109.379 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 50.9 p -140.92 159.62 41.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.1 -177.53 35.63 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 107.65 -2.18 . . . . 25.0 107.65 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.07 -27.15 14.26 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 CA-C-N 119.497 1.648 . . . . 25.0 114.187 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -91.91 -6.21 51.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.285 1.041 . . . . 25.0 108.862 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 13.4 m -96.51 161.0 14.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.487 -1.233 . . . . 25.0 109.589 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.81 156.67 40.57 Favored Pre-proline 0 C--N 1.313 -1.019 0 N-CA-C 105.236 -2.135 . . . . 25.0 105.236 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.58 11.64 1.02 Allowed 'Trans proline' 0 CA--C 1.534 0.508 0 N-CA-C 114.51 0.927 . . . . 25.0 114.51 -174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -145.47 53.51 0.56 Allowed Glycine 0 C--O 1.222 -0.617 0 N-CA-C 111.115 -0.794 . . . . 25.0 111.115 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.8 140.49 47.54 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.567 -0.901 . . . . 25.0 108.567 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.9 mt -141.98 153.68 44.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.204 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 23.6 t0 -92.05 108.85 20.24 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.435 0.636 . . . . 25.0 110.517 176.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.778 -1.101 . . . . 25.0 111.748 -176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -92.22 -25.25 18.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.709 1.004 . . . . 25.0 113.709 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 14.2 t -102.75 18.22 21.94 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.926 -0.398 . . . . 25.0 109.926 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.514 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 2.9 p90 -49.21 153.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 177.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.7 m -77.49 130.51 37.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.899 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 37.7 p -79.53 -5.72 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.612 0.72 . . . . 25.0 109.077 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -103.75 149.13 25.28 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.709 -1.589 . . . . 25.0 106.709 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.5 mp -75.29 168.63 19.62 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . 0.437 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 38.0 p90 -57.2 36.24 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 118.503 2.779 . . . . 25.0 118.503 173.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -97.16 42.34 2.18 Favored Glycine 0 C--N 1.319 -0.378 0 O-C-N 121.178 -0.951 . . . . 25.0 113.113 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -60.32 131.24 50.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.362 0.601 . . . . 25.0 110.286 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 47.5 m -138.41 42.59 2.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.655 -0.702 . . . . 25.0 110.854 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -143.59 155.44 44.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.456 -2.053 . . . . 25.0 105.456 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 117.681 -1.152 . . . . 25.0 112.152 -174.793 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 111.879 -0.489 . . . . 25.0 111.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 66.3 m -150.22 -57.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.091 0.557 . . . . 25.0 111.808 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 62.2 p 177.93 -153.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.402 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.1 OUTLIER -60.41 151.75 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-O 121.752 0.787 . . . . 25.0 111.787 176.356 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.7 t -97.42 159.01 15.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 25.0 109.737 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.921 -0.582 . . . . 25.0 109.845 174.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.43 -36.23 29.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.78 -0.368 . . . . 25.0 110.188 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.453 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 41.9 tp60 -62.23 -41.26 98.25 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 120.783 -0.367 . . . . 25.0 110.881 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.433 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.2 ptp -72.83 -21.55 60.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -41.16 33.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.577 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.85 -36.15 50.28 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.937 -0.705 . . . . 25.0 109.824 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -72.74 -21.47 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.099 0.777 . . . . 25.0 113.099 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.67 -19.58 63.98 Favored 'General case' 0 C--O 1.2 -1.522 0 O-C-N 121.211 -0.931 . . . . 25.0 109.077 174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.49 -20.62 63.72 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 118.949 0.795 . . . . 25.0 110.806 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 6.6 t -64.71 -13.11 53.19 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.929 -0.482 . . . . 25.0 110.806 176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -23.16 55.95 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.103 1.149 . . . . 25.0 114.103 171.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.19 -10.38 13.86 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.625 0.25 . . . . 25.0 111.551 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -63.77 -58.05 8.04 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.13 6.13 35.57 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.611 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 33.4 t0 -59.7 104.54 0.29 Allowed 'General case' 0 CA--C 1.495 -1.168 0 CA-C-O 122.001 0.905 . . . . 75.0 111.432 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.489 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 44.0 mtt180 -55.19 -34.86 64.23 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 112.965 -1.925 . . . . 25.0 113.747 -174.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.45 3.48 13.25 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.628 -0.715 . . . . 50.0 110.828 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.1 t60 57.79 33.53 23.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.141 1.534 . . . . 25.0 115.141 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.28 -18.14 60.76 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 91.59 18.19 45.94 Favored Glycine 0 C--N 1.324 -0.123 0 N-CA-C 109.766 -1.333 . . . . 25.0 109.766 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.5 p -154.48 135.74 14.04 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -96.97 126.88 42.43 Favored 'General case' 0 C--O 1.201 -1.484 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -79.21 -170.22 38.77 Favored Glycine 0 C--O 1.193 -2.434 0 N-CA-C 109.101 -1.6 . . . . 25.0 109.101 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -60.95 -58.44 0.46 Allowed 'Trans proline' 0 C--N 1.327 -0.572 0 CA-C-N 120.946 2.373 . . . . 25.0 113.685 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.55 -16.89 64.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.468 0.652 . . . . 25.0 111.074 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.489 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 11.3 mt-10 -87.57 -44.46 11.23 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 120.374 -0.531 . . . . 50.0 110.823 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.456 ' CG ' HG21 ' A' ' 807' ' ' VAL . 30.2 t80 -59.45 -39.24 82.98 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 123.708 0.803 . . . . 25.0 110.985 -178.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -22.15 66.55 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.163 -0.471 . . . . 25.0 110.746 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.74 -35.89 20.51 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.37 -44.76 95.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.915 0.864 . . . . 25.0 110.062 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 19.8 mt -61.79 -18.8 61.26 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 115.845 1.795 . . . . 25.0 115.845 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.2 -36.77 76.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 26.2 t -73.51 -9.07 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.209 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.18 -10.39 14.98 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.052 0.22 . . . . 25.0 111.28 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.23 54.53 3.52 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 118.862 -1.637 . . . . 25.0 111.847 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -64.56 159.43 21.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 117.038 2.236 . . . . 25.0 117.038 -179.598 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -95.29 21.17 8.3 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.281 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.56 165.35 31.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.758 -1.11 . . . . 25.0 109.379 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.1 -170.42 18.04 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 105.747 -2.941 . . . . 25.0 105.747 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.51 9.11 7.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.825 0.813 . . . . 25.0 110.804 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.74 154.1 68.25 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.338 -0.847 . . . . 25.0 109.283 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.26 -25.19 50.04 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 117.189 -1.407 . . . . 25.0 113.57 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -79.42 -43.87 22.49 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.04 -30.34 70.0 Favored Glycine 0 C--O 1.21 -1.374 0 C-N-CA 120.371 -0.919 . . . . 25.0 113.909 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.77 -28.78 69.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 118.238 1.019 . . . . 25.0 109.87 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.8 -38.58 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' A' ' 794' ' ' ARG . 6.7 mm-40 -74.93 -32.15 61.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.816 -0.629 . . . . 25.0 110.82 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -44.53 95.63 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.229 -1.397 . . . . 25.0 107.229 173.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.66 72.14 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.866 -0.333 . . . . 25.0 111.837 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 791' ' ' GLU . 7.4 tmm_? -60.43 -40.62 91.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.048 -0.723 . . . . 25.0 109.048 174.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 10.9 mt -73.49 -42.29 56.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.153 0 N-CA-C 109.185 -0.672 . . . . 25.0 109.185 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -26.24 38.68 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.135 0.493 . . . . 25.0 111.158 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.7 t -77.44 -31.97 54.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.842 -0.617 . . . . 25.0 111.885 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -89.47 -23.46 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.874 -0.516 . . . . 25.0 111.657 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.522 HG23 HG22 ' A' ' 807' ' ' VAL . 29.9 m -92.65 21.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.925 0.869 . . . . 25.0 109.901 176.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -122.36 60.91 14.0 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 114.946 -1.024 . . . . 25.0 109.63 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -70.18 -5.33 16.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 N-CA-C 114.433 0.897 . . . . 25.0 114.433 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -107.55 -1.97 20.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 56.28 41.46 29.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.964 0.905 . . . . 25.0 112.58 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.421 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.5 -8.12 18.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.933 -1.03 . . . . 25.0 110.569 177.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.1 20.47 64.9 Favored Glycine 0 C--O 1.233 0.093 0 C-N-CA 121.227 -0.511 . . . . 25.0 113.628 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.421 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.37 153.46 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 -178.441 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.522 HG22 HG23 ' A' ' 799' ' ' VAL . 53.4 t -93.61 124.46 46.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 -176.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.33 168.49 9.19 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 120.967 0.413 . . . . 25.0 111.51 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.474 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -49.04 -42.31 37.97 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 114.456 1.28 . . . . 25.0 114.456 178.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -15.85 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.178 0.513 . . . . 25.0 110.621 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -89.22 -36.4 15.65 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.26 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.474 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 71.1 m-85 -59.77 -31.18 69.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 25.0 111.102 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.433 HG21 ' HE2' ' A' ' 748' ' ' MET . 11.6 mm -61.75 -31.58 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.595 0.712 . . . . 25.0 110.685 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -48.69 -48.43 40.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.786 -1.097 . . . . 25.0 110.716 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -74.73 -39.2 62.01 Favored 'General case' 0 C--O 1.211 -0.949 0 CA-C-O 120.953 0.406 . . . . 25.0 111.346 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.402 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.86 -33.18 64.31 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 114.043 1.127 . . . . 25.0 114.043 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 39.2 t -79.2 -19.83 49.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 120.25 -1.531 . . . . 25.0 110.44 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -18.51 61.09 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.543 0.337 . . . . 25.0 111.705 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -54.63 -17.47 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.707 1.203 . . . . 25.0 111.986 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.9 p -73.76 8.75 1.76 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -128.17 151.84 48.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.24 0.616 . . . . 25.0 109.854 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.32 151.21 46.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.886 1.439 . . . . 25.0 114.886 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.88 171.35 14.18 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.608 172.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.9 -40.33 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.777 0.799 . . . . 25.0 110.181 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 10.6 p -68.63 -19.27 64.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.319 -0.855 . . . . 25.0 110.68 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.21 -22.43 62.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.355 0.502 . . . . 25.0 112.355 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.85 -35.02 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.78 0.8 . . . . 25.0 110.39 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -71.55 -42.35 67.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.771 -0.65 . . . . 25.0 112.263 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 826' ' ' ALA . 9.8 p -74.94 -30.09 23.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.396 -0.521 . . . . 25.0 110.013 -173.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.16 -13.03 61.56 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.696 0.628 . . . . 25.0 112.696 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.72 -19.54 62.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.624 -0.673 . . . . 25.0 110.699 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 61.9 p -57.32 -27.3 62.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -61.65 -27.52 68.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -68.41 -37.31 80.2 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.843 -0.535 . . . . 25.0 109.604 176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.82 -38.64 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.954 -1.128 . . . . 25.0 107.954 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -44.71 96.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.643 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.24 79.75 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.054 0.93 . . . . 25.0 109.468 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 85.82 -102.52 2.67 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 106.141 -2.784 . . . . 25.0 106.141 -171.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -123.59 2.55 8.95 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.832 1.419 . . . . 25.0 114.832 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.92 152.88 43.19 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -81.06 1.06 33.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 115.096 1.517 . . . . 25.0 115.096 -174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -152.29 160.81 43.28 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 106.19 -1.782 . . . . 25.0 106.19 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.4 tp -111.49 149.26 14.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.57 -1.641 . . . . 25.0 106.57 175.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 71.0 p -87.83 152.33 22.18 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 106.544 -1.65 . . . . 25.0 106.544 173.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.1 mtt -56.36 -34.51 66.7 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-O 121.208 0.528 . . . . 25.0 109.689 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -71.97 -25.56 61.91 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -71.03 -37.18 72.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.214 -0.661 . . . . 25.0 109.214 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.34 -39.41 81.9 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 175.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.5 mtp85 -75.51 11.48 1.27 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.097 0.559 . . . . 25.0 112.5 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.6 -41.04 4.42 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -82.89 -26.97 31.03 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.36 90.87 45.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.433 -0.349 . . . . 25.0 110.63 179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -54.39 -33.04 75.32 Favored 'Trans proline' 0 CA--C 1.577 2.645 0 N-CA-C 117.986 2.264 . . . . 25.0 117.986 165.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 26.5 Cg_endo -86.64 -165.76 0.27 Allowed 'Trans proline' 0 C--N 1.364 1.359 0 N-CA-C 116.909 1.85 . . . . 25.0 116.909 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -22.16 8.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -60.64 -28.13 68.32 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.564 -0.71 . . . . 25.0 110.499 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.76 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.385 -0.822 . . . . 25.0 111.976 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.73 -33.4 70.8 Favored 'General case' 0 CA--C 1.51 -0.566 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.904 -176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -50.68 71.54 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 173.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 92.3 m -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 121.044 -0.262 . . . . 25.0 110.856 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.55 -41.12 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 110.882 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.92 -26.98 67.85 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.824 1.046 . . . . 25.0 113.824 -174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -105.05 -4.94 21.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.932 0.345 . . . . 25.0 111.932 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.6 ttm -79.81 154.42 28.46 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.563 -0.711 . . . . 25.0 111.323 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -71.77 136.48 82.91 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 120.242 -0.583 . . . . 25.0 110.728 -174.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.18 92.29 1.0 Allowed 'Trans proline' 0 CA--C 1.528 0.221 0 C-N-CA 124.223 3.282 . . . . 25.0 114.361 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -93.85 107.85 19.69 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.606 0.717 . . . . 25.0 112.232 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.1 p -131.96 156.53 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.46 176.33 38.7 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 109.539 -1.424 . . . . 25.0 109.539 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.74 -26.35 16.12 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 121.814 1.676 . . . . 25.0 114.004 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.18 5.37 46.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.644 1.211 . . . . 25.0 108.445 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 13.2 m -117.87 170.26 8.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.914 -1.494 . . . . 25.0 109.752 -178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.54 157.03 41.38 Favored Pre-proline 0 CA--C 1.495 -1.169 0 N-CA-C 106.203 -1.777 . . . . 25.0 106.203 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.2 -10.45 27.29 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 117.563 -1.158 . . . . 25.0 112.541 -176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -101.79 40.14 2.52 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-O 119.525 -0.597 . . . . 25.0 111.953 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.9 138.31 49.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.0 mt -142.0 150.7 41.68 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.617 0.228 . . . . 25.0 111.617 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.651 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 27.2 t0 -89.07 107.6 19.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.532 0.682 . . . . 25.0 110.957 177.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -69.63 -33.42 72.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.526 -1.215 . . . . 25.0 112.009 -177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -92.75 -23.44 18.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.9 t -107.75 21.34 17.57 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.161 0.505 . . . . 25.0 109.975 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.3 p90 -49.35 157.57 0.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 114.484 1.29 . . . . 25.0 114.484 176.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 46.0 t -84.62 125.1 32.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.412 -0.813 . . . . 25.0 111.042 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.7 p -77.22 -12.86 60.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -91.35 131.27 36.96 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.452 -1.314 . . . . 25.0 107.452 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.5 153.55 41.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.331 -0.85 . . . . 25.0 110.532 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -44.26 -36.37 2.7 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.37 1.248 . . . . 25.0 114.37 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 71.47 -135.62 23.89 Favored Glycine 0 C--O 1.225 -0.451 0 C-N-CA 120.812 -0.709 . . . . 25.0 113.607 175.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -106.53 40.47 1.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.371 0.605 . . . . 25.0 109.793 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 23.3 p -87.48 165.29 15.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.984 -0.553 . . . . 25.0 110.958 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -145.99 -57.63 0.3 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.252 1.201 0 CA-C-O 116.514 -1.708 . . . . 25.0 107.768 177.647 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.615 0 CA-C-O 119.869 -0.406 . . . . 25.0 113.242 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 14.6 m 54.2 47.0 24.12 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 118.224 2.676 . . . . 25.0 118.224 175.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 79.2 p -139.11 123.27 18.0 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 116.144 1.905 . . . . 25.0 116.144 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.76 153.34 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 109.22 -0.659 . . . . 25.0 109.22 172.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.4 t -97.55 156.5 16.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.065 0.46 . . . . 25.0 109.837 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -30.54 71.66 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.93 -36.93 56.23 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.267 -0.271 . . . . 25.0 110.863 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -61.26 -40.84 95.57 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 121.532 0.682 . . . . 25.0 109.998 178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.548 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.3 ptp -74.95 -21.32 59.24 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.87 -30.26 26.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.753 -175.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -84.41 -40.46 17.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.0 t80 -69.86 -20.12 63.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -60.89 -19.96 61.18 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 108.406 -0.961 . . . . 25.0 108.406 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -70.16 -23.45 62.99 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.958 0.799 . . . . 25.0 110.068 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -16.26 48.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.12 0.485 . . . . 25.0 110.59 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.81 -23.54 44.34 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.39 -4.89 12.91 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-O 120.782 0.325 . . . . 25.0 111.342 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -68.34 -56.25 9.2 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.953 0.406 . . . . 25.0 112.07 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.415 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.1 m-85 -101.83 4.11 39.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.422 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 16.7 t0 -57.7 104.43 0.18 Allowed 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.938 0.875 . . . . 50.0 111.951 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.506 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 0.1 OUTLIER -57.5 -35.42 70.2 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 114.097 -1.411 . . . . 25.0 113.946 -174.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -115.75 -3.66 12.22 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 123.525 0.516 . . . . 50.0 110.293 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 63.32 30.88 15.59 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.941 1.089 . . . . 25.0 113.941 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 51.8 p -68.97 -10.84 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 123.417 0.687 . . . . 25.0 112.557 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 87.93 15.69 60.78 Favored Glycine 0 CA--C 1.51 -0.281 0 N-CA-C 107.646 -2.182 . . . . 25.0 107.646 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.7 p -154.46 136.54 14.71 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 113.838 -1.181 . . . . 25.0 108.869 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.6 mm? -95.16 124.78 39.39 Favored 'General case' 0 C--O 1.194 -1.82 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -80.15 -166.09 33.23 Favored Glycine 0 C--O 1.196 -2.261 0 N-CA-C 109.491 -1.444 . . . . 25.0 109.491 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -62.33 -59.46 0.26 Allowed 'Trans proline' 0 CA--C 1.536 0.609 0 CA-C-N 120.878 2.339 . . . . 25.0 113.857 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.91 -16.61 64.15 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 122.119 0.961 . . . . 25.0 111.524 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.506 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 19.9 mt-10 -86.66 -46.67 9.85 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 119.816 -0.754 . . . . 50.0 109.833 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.499 ' CG ' HG21 ' A' ' 807' ' ' VAL . 27.4 t80 -58.4 -41.51 85.07 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.66 0.784 . . . . 25.0 111.28 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -25.06 67.57 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 116.247 -0.433 . . . . 25.0 110.171 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.25 -34.4 21.97 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 118.313 0.506 . . . . 25.0 110.494 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.415 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 48.8 t -62.39 -46.84 86.82 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 107.942 -1.133 . . . . 25.0 107.942 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.45 -19.58 37.88 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 116.79 2.145 . . . . 25.0 116.79 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.56 -39.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.1 m -77.88 -10.02 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.735 -0.666 . . . . 25.0 111.973 -176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.33 -9.06 22.7 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.107 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . 0.422 ' HA2' ' HB ' ' A' ' 825' ' ' THR . . . 80.66 53.84 3.89 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 118.658 -1.734 . . . . 25.0 111.059 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.76 163.79 8.81 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 116.698 2.11 . . . . 25.0 116.698 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.48 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 51.7 p30 -97.45 17.61 17.18 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.349 -0.841 . . . . 25.0 110.539 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.44 171.25 18.26 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 114.957 -1.02 . . . . 25.0 110.082 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -148.43 -171.94 17.81 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 104.322 -3.511 . . . . 25.0 104.322 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.18 22.46 2.44 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.735 1.267 . . . . 25.0 109.823 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.16 153.78 92.39 Favored Pre-proline 0 C--N 1.319 -0.749 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.5 -23.23 50.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 116.195 -2.07 . . . . 25.0 111.667 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -73.87 -46.76 42.77 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 175.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.62 -32.6 81.97 Favored Glycine 0 C--O 1.206 -1.631 0 C-N-CA 120.919 -0.657 . . . . 25.0 112.365 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.62 -29.79 70.8 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 117.94 0.87 . . . . 25.0 110.768 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.91 55.59 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.507 -0.923 . . . . 25.0 108.507 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.39 -35.58 75.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.415 -0.812 . . . . 25.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.401 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.6 OUTLIER -62.72 -44.96 94.87 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 177.01 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.07 75.03 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.472 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -60.03 -43.15 95.48 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 792' ' ' PHE . 9.1 mt -70.45 -42.6 78.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.201 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -27.93 26.38 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.466 0.65 . . . . 25.0 110.677 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 30.4 t -78.92 -27.87 43.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.904 -0.589 . . . . 25.0 111.816 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.0 pt -92.2 -23.66 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 CA-C-N 118.407 0.549 . . . . 25.0 112.179 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.53 HG23 HG22 ' A' ' 807' ' ' VAL . 35.0 m -90.03 21.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 122.428 1.108 . . . . 25.0 109.852 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -124.2 59.17 17.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.483 -1.235 . . . . 25.0 108.863 175.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -70.21 -4.43 14.32 Favored 'Trans proline' 0 C--N 1.349 0.579 0 N-CA-C 114.801 1.039 . . . . 25.0 114.801 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -108.48 -1.69 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 56.94 40.51 28.75 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.355 0.872 . . . . 25.0 113.355 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.474 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.06 -8.16 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.819 -1.082 . . . . 25.0 110.88 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 78.53 24.07 63.67 Favored Glycine 0 N--CA 1.459 0.225 0 C-N-CA 121.277 -0.487 . . . . 25.0 113.804 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.53 154.04 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -179.228 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.53 HG22 HG23 ' A' ' 799' ' ' VAL . 54.4 t -96.41 125.88 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 C-N-CA 122.675 0.39 . . . . 25.0 109.998 -175.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.06 169.68 8.41 Favored 'General case' 0 C--O 1.201 -1.494 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.638 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.47 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -49.19 -43.6 42.33 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.48 -17.69 60.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.266 0.555 . . . . 25.0 110.236 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.44 -37.6 19.59 Favored 'General case' 0 C--O 1.2 -1.54 0 CA-C-O 121.538 0.685 . . . . 25.0 111.148 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.47 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 66.5 m-85 -59.0 -31.39 68.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.012 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.548 HG21 ' HE1' ' A' ' 748' ' ' MET . 9.5 mm -61.1 -32.34 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.888 0.851 . . . . 25.0 110.365 -176.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -44.34 -50.36 9.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.16 -1.382 . . . . 25.0 110.624 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.48 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 1.6 t80 -77.03 -42.46 38.43 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 119.996 -0.682 . . . . 25.0 111.749 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -31.15 34.52 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 114.566 1.321 . . . . 25.0 114.566 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 -20.12 50.13 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 120.088 -1.632 . . . . 25.0 110.86 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 -78.27 -21.64 49.51 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.174 0.511 . . . . 25.0 110.417 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.432 ' HB3' HE21 ' A' ' 856' ' ' GLN . 1.7 tt0 -59.74 -7.41 1.58 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.326 1.45 . . . . 25.0 112.556 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 74.8 p -80.35 -0.82 38.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.775 -0.578 . . . . 25.0 111.651 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -110.01 161.08 15.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.834 0.454 . . . . 25.0 110.266 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.46 148.41 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 110.246 -0.279 . . . . 25.0 110.246 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.81 159.74 41.5 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 121.854 0.062 . . . . 25.0 111.139 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.39 -35.73 79.9 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.914 1.34 . . . . 25.0 109.943 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . 0.422 ' HB ' ' HA2' ' A' ' 779' ' ' GLY . 2.9 p -74.92 -16.32 60.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 112.344 -2.207 . . . . 25.0 113.209 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.466 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -48.53 -26.46 2.19 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -177.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -57.85 -37.8 74.52 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.996 0.903 . . . . 25.0 110.192 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -68.75 -39.95 80.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.948 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 826' ' ' ALA . 7.8 p -76.72 -36.33 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.276 -0.638 . . . . 25.0 109.276 -177.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 95.1 mtp -66.27 -16.26 63.88 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.22 0.452 . . . . 25.0 112.22 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.74 62.81 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 122.116 -0.365 . . . . 25.0 111.155 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 99.6 p -62.33 -24.92 67.6 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 122.247 -0.283 . . . . 25.0 111.647 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -65.62 -22.71 66.69 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.215 -0.303 . . . . 25.0 111.759 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -69.09 -36.96 78.16 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.65 -41.35 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.516 -1.29 . . . . 25.0 107.516 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -46.39 89.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.492 -0.776 . . . . 25.0 111.044 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.65 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.147 0.975 . . . . 25.0 108.763 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 87.78 -102.34 2.8 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.679 -1.768 . . . . 25.0 108.679 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -114.98 3.44 14.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.715 0.757 . . . . 25.0 112.984 -177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 18.3 ptmt -89.54 155.04 19.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -79.13 -11.49 59.98 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.571 1.323 . . . . 25.0 114.571 -176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -136.93 169.05 18.41 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.426 HG13 ' HB2' ' A' ' 847' ' ' GLU . 2.4 tp -123.05 146.88 27.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 105.321 -2.103 . . . . 25.0 105.321 175.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 44.2 p -85.56 152.8 22.87 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.147 -2.168 . . . . 25.0 105.147 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.1 mtt -54.28 -37.07 64.33 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 173.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.99 -31.19 69.85 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.265 -0.88 . . . . 25.0 113.245 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.426 ' HB2' HG13 ' A' ' 843' ' ' ILE . 8.5 mt-10 -66.22 -37.97 86.82 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 55.9 mt -67.42 -43.83 80.27 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 107.605 -1.257 . . . . 25.0 107.605 176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -76.5 28.21 0.12 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.289 0.636 . . . . 25.0 111.403 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -127.57 -34.0 2.26 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 106.746 -1.576 . . . . 25.0 106.746 -176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.492 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 15.1 pt-20 -96.77 -25.89 15.34 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.76 -1.564 . . . . 25.0 107.093 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.492 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.6 mt -119.57 81.83 24.81 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 123.179 0.592 . . . . 25.0 110.404 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -63.16 -22.17 72.77 Favored 'Trans proline' 0 CA--C 1.575 2.547 1 C-N-CA 113.178 -4.081 . . . . 25.0 116.948 167.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.417 ' HD2' ' C ' ' A' ' 852' ' ' LEU . 39.8 Cg_endo -81.9 -167.4 0.48 Allowed 'Trans proline' 0 C--N 1.367 1.545 0 N-CA-C 116.731 1.781 . . . . 25.0 116.731 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.76 -25.89 4.95 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 116.738 2.125 . . . . 25.0 116.738 176.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . 0.432 HE21 ' HB3' ' A' ' 819' ' ' GLU . 15.5 mp0 -57.22 -30.17 64.36 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.7 71.3 Favored 'General case' 0 C--O 1.219 -0.519 0 O-C-N 121.826 -0.546 . . . . 25.0 110.943 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.35 -36.49 76.94 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 120.211 -0.596 . . . . 25.0 110.651 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -53.31 59.3 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.071 -1.085 . . . . 25.0 108.071 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.3 m -63.1 -42.46 99.59 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.996 0.369 . . . . 25.0 111.996 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.18 -41.34 86.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.508 -0.553 . . . . 25.0 109.508 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.28 -17.44 64.51 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.34 5.83 13.62 Favored 'General case' 0 C--O 1.219 -0.533 0 O-C-N 121.993 -0.442 . . . . 25.0 110.53 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -89.98 162.46 15.38 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.93 -0.482 . . . . 25.0 111.579 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -79.69 132.92 59.94 Favored Pre-proline 0 C--O 1.22 -0.487 0 O-C-N 122.17 -0.331 . . . . 25.0 110.822 -175.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.63 87.69 0.94 Allowed 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.77 2.98 . . . . 25.0 114.479 -176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -90.19 107.91 19.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 122.06 0.933 . . . . 25.0 112.514 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 76.5 p -131.26 162.38 30.14 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.515 -0.92 . . . . 25.0 108.515 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 148.77 177.48 23.02 Favored Glycine 0 C--O 1.225 -0.451 0 N-CA-C 111.204 -0.758 . . . . 25.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -74.92 -21.7 15.77 Favored 'Trans proline' 0 C--O 1.22 -0.384 0 C-N-CA 122.405 2.07 . . . . 25.0 114.163 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -97.44 5.15 50.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.051 -1.463 . . . . 25.0 107.051 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 6.5 t -112.06 -177.88 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.291 -1.322 . . . . 25.0 109.533 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.31 156.04 80.03 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 115.11 -0.95 . . . . 25.0 108.676 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.05 96.11 0.77 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 O-C-N 122.504 0.739 . . . . 25.0 112.138 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 117.37 44.92 0.54 Allowed Glycine 0 C--O 1.222 -0.645 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.54 137.5 50.67 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 11.3 mt -142.15 145.48 34.25 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 122.811 0.069 . . . . 25.0 110.866 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.48 115.57 22.13 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.556 -0.858 . . . . 25.0 110.459 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -67.18 -40.47 86.56 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 123.542 0.526 . . . . 25.0 111.827 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -89.19 -30.2 18.72 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.485 1.291 . . . . 25.0 114.485 -176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.1 t -97.82 17.56 17.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.784 0.326 . . . . 25.0 110.174 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.483 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 15.9 p90 -44.15 151.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.4 m -65.66 123.01 18.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.526 -1.216 . . . . 25.0 111.9 -176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 64.7 p -75.56 -5.34 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.393 0.616 . . . . 25.0 109.544 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -108.54 130.38 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.05 135.87 57.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.865 -0.791 . . . . 25.0 108.865 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 59.61 27.48 16.7 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.067 0.855 . . . . 25.0 110.532 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -75.69 27.93 1.31 Allowed Glycine 0 C--O 1.223 -0.541 0 CA-C-N 114.761 -1.109 . . . . 25.0 115.761 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -92.98 -4.25 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.364 0.602 . . . . 25.0 109.441 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 26.4 m -81.48 116.51 21.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.862 -0.608 . . . . 25.0 112.392 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -77.95 -33.73 51.43 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.31 0.576 . . . . 25.0 111.13 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--O 1.251 1.177 0 CA-C-O 116.59 -1.671 . . . . 25.0 107.944 -177.806 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.721 0 CA-C-O 116.968 -2.018 . . . . 25.0 110.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 p -61.36 137.4 58.24 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 119.609 1.704 . . . . 25.0 107.89 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 17.8 m 69.99 -56.22 0.58 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.323 1.449 . . . . 25.0 114.457 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.0 OUTLIER -115.47 146.3 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 N-CA-C 117.566 2.432 . . . . 25.0 117.566 -176.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.401 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 83.2 p -97.5 168.0 10.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.37 -0.832 . . . . 25.0 109.886 177.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -27.84 66.56 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.276 -0.42 . . . . 25.0 110.447 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -80.93 -39.16 26.61 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.096 -0.335 . . . . 25.0 110.096 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -60.23 -39.2 85.84 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.086 0.469 . . . . 25.0 110.873 177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.31 -21.06 58.72 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.6 -33.23 31.65 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.864 -0.334 . . . . 25.0 110.655 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -81.49 -38.48 26.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 174.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 47.3 t80 -73.22 -21.3 60.67 Favored 'General case' 0 C--O 1.203 -1.375 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -63.49 -19.85 65.11 Favored 'General case' 0 C--O 1.199 -1.595 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 175.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.77 68.23 Favored 'General case' 0 CA--C 1.489 -1.396 0 CA-C-O 122.054 0.93 . . . . 25.0 112.789 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.3 p -58.4 -22.57 54.45 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.135 -0.978 . . . . 25.0 110.008 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -23.49 22.7 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 114.746 1.387 . . . . 25.0 114.746 175.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.37 -2.19 10.64 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 112.722 0.638 . . . . 25.0 112.722 178.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -68.24 -57.45 5.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.539 -177.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -104.14 5.83 35.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.656 -178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -57.19 103.82 0.14 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 122.395 1.093 . . . . 50.0 112.385 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.433 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 34.1 ttp180 -53.88 -37.68 63.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.002 -1.908 . . . . 25.0 113.462 -175.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.45 4.93 11.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.08 -0.509 . . . . 50.0 110.905 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 4.7 t60 56.82 34.99 25.64 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.212 1.006 . . . . 25.0 112.531 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 63.0 p -75.58 -6.44 50.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.608 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.35 14.56 68.38 Favored Glycine 0 CA--C 1.508 -0.396 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.4 p -154.56 136.36 14.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 113.606 -1.297 . . . . 25.0 109.22 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.7 129.13 40.13 Favored 'General case' 0 C--O 1.203 -1.38 0 N-CA-C 107.679 -1.23 . . . . 25.0 107.679 178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.445 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.8 -166.72 40.88 Favored Glycine 0 C--O 1.195 -2.339 0 N-CA-C 108.63 -1.788 . . . . 25.0 108.63 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -59.84 -63.72 0.12 Allowed 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 120.956 2.378 . . . . 25.0 114.325 -176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.39 -16.73 64.4 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.897 0.856 . . . . 25.0 110.548 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 15.0 mt-10 -85.15 -45.88 11.63 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 119.427 -0.909 . . . . 50.0 109.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.477 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.2 t80 -59.05 -42.29 89.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 123.383 0.673 . . . . 25.0 111.09 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -23.72 67.37 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 116.239 -0.437 . . . . 25.0 111.016 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.62 -35.06 21.21 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.351 -0.981 . . . . 25.0 108.351 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 36.4 t -62.12 -44.87 95.7 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.908 -0.775 . . . . 25.0 108.908 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.404 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 19.0 mt -60.35 -21.23 61.84 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 116.04 1.867 . . . . 25.0 116.04 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 34.6 mt -63.81 -36.72 77.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 20.4 t -73.01 -5.3 37.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.304 -0.862 . . . . 25.0 112.195 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.91 -22.18 12.31 Favored 'General case' 0 C--O 1.211 -0.927 0 O-C-N 123.019 0.2 . . . . 25.0 111.502 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.52 51.8 2.11 Favored Glycine 0 C--O 1.226 -0.375 0 C-N-CA 119.446 -1.359 . . . . 25.0 110.608 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -61.07 165.34 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 117.404 2.372 . . . . 25.0 117.404 179.635 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.404 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 31.4 p-10 -99.15 15.12 27.0 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.937 0.895 . . . . 25.0 110.991 -175.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.98 172.12 16.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -158.99 -164.37 14.31 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 107.322 -2.311 . . . . 25.0 107.322 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -83.8 23.29 1.01 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.856 0.836 . . . . 25.0 109.191 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.67 154.53 73.55 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.101 -0.954 . . . . 25.0 110.937 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -64.81 -23.07 62.96 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.281 -1.346 . . . . 25.0 113.349 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -87.13 -45.28 10.83 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.58 90.32 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 120.668 -0.777 . . . . 25.0 114.891 -175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -65.3 -26.67 68.16 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 118.518 1.159 . . . . 25.0 110.492 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -77.93 -41.31 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.57 -34.07 71.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.715 -0.675 . . . . 25.0 110.095 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -49.21 76.61 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.815 -1.18 . . . . 25.0 107.815 175.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.61 -30.95 71.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.11 0.481 . . . . 25.0 111.62 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -63.27 -40.14 96.56 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.404 -0.591 . . . . 25.0 109.404 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.0 mt -72.57 -42.12 63.35 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -25.72 32.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.29 0.567 . . . . 25.0 111.272 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 33.4 t -83.05 -18.41 39.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.451 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 15.3 pt -99.23 -23.55 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 807' ' ' VAL . 27.5 m -92.42 23.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.827 0.822 . . . . 25.0 111.192 -177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.78 64.17 31.19 Favored Pre-proline 0 CA--C 1.555 1.142 0 CA-C-O 121.952 0.882 . . . . 25.0 108.837 167.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.16 5.87 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.538 2.158 . . . . 25.0 115.977 -177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -0.77 14.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.109 -1.812 . . . . 25.0 106.109 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 56.32 39.9 30.0 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.083 1.353 . . . . 25.0 114.026 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -6.25 21.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.764 -1.107 . . . . 25.0 112.27 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.02 25.6 63.93 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.926 -0.654 . . . . 25.0 113.83 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.68 152.82 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 799' ' ' VAL . 45.0 t -90.73 126.05 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.06 0.457 . . . . 25.0 109.787 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 1.1 p -105.6 165.65 11.0 Favored 'General case' 0 C--O 1.201 -1.497 0 CA-C-N 115.761 -0.654 . . . . 25.0 112.326 -176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.483 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -50.46 -42.15 53.97 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 114.036 1.124 . . . . 25.0 114.036 178.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.51 -18.14 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.173 0.511 . . . . 25.0 110.28 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.6 18.75 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 115.783 -0.644 . . . . 25.0 112.131 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.483 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 64.6 m-85 -57.08 -33.07 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.517 0.675 . . . . 25.0 110.993 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.8 -32.74 50.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.173 -0.922 . . . . 25.0 111.016 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -50.55 -46.93 57.86 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.258 -0.883 . . . . 25.0 110.348 177.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.404 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.0 t80 -75.2 -37.99 60.95 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.986 0.898 . . . . 25.0 110.673 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.459 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -59.24 -27.41 65.75 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 121.063 -1.023 . . . . 25.0 112.505 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.53 -22.51 32.41 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.694 -1.254 . . . . 25.0 110.179 176.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -69.77 -22.14 63.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 115.737 -0.665 . . . . 25.0 110.613 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.535 ' HB3' HE22 ' A' ' 856' ' ' GLN . 18.2 tp10 -49.67 -30.1 8.51 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 125.708 1.603 . . . . 25.0 114.671 -179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 76.4 p -70.17 3.69 2.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 115.442 1.645 . . . . 25.0 115.442 -175.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.11 -152.29 0.26 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 121.453 0.644 . . . . 25.0 110.407 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.02 149.0 46.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 105.331 -2.1 . . . . 25.0 105.331 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.14 163.14 38.44 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 -174.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -75.9 -41.72 51.1 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 122.534 1.159 . . . . 25.0 109.513 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 41.0 p -66.7 -16.31 64.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.713 -1.131 . . . . 25.0 110.876 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.45 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -57.48 -24.52 56.27 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.201 0.815 . . . . 25.0 113.201 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.9 -33.84 72.39 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.897 0.856 . . . . 25.0 110.347 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -72.84 -38.03 67.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.808 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 826' ' ' ALA . 12.1 p -81.52 -35.71 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.184 -0.607 . . . . 25.0 111.438 -175.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -66.27 -18.04 65.12 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.722 -0.611 . . . . 25.0 110.842 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -57.13 -28.93 63.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.256 0.55 . . . . 25.0 109.679 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 835' ' ' ILE . 7.7 m -63.71 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.458 0.911 . . . . 25.0 113.458 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.35 -26.64 68.85 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.763 -0.586 . . . . 25.0 111.092 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -31.84 70.12 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.117 -0.698 . . . . 25.0 109.117 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 832' ' ' SER . 3.8 mp -77.13 -39.48 28.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 107.075 -1.454 . . . . 25.0 107.075 -178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -47.09 85.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.457 -0.792 . . . . 25.0 110.387 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -70.16 -41.95 73.14 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.048 0.928 . . . . 25.0 109.911 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.3 -86.87 1.44 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 110.607 -0.997 . . . . 25.0 110.607 -176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -115.03 -24.34 8.63 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -69.77 150.66 46.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.3 0.572 . . . . 25.0 110.929 -173.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -83.94 2.05 40.59 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.626 0.973 . . . . 25.0 113.626 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -149.51 161.16 42.67 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 105.2 -2.148 . . . . 25.0 105.2 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.5 tp -112.75 150.85 14.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.178 -1.786 . . . . 25.0 106.178 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 70.5 p -91.15 154.71 19.15 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 63.3 mtt -57.55 -34.21 68.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 108.938 -0.764 . . . . 25.0 108.938 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.67 -33.12 75.21 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.326 -0.852 . . . . 25.0 111.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.45 -36.94 71.41 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.988 -0.445 . . . . 25.0 110.53 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.98 -38.76 83.11 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 107.671 -1.233 . . . . 25.0 107.671 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -75.04 7.24 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.42 -32.66 8.92 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 107.999 -1.112 . . . . 25.0 107.999 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -93.68 -28.14 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.322 -0.854 . . . . 25.0 110.281 177.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.5 90.98 46.32 Favored Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.74 0.416 . . . . 25.0 111.298 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -62.69 -28.5 76.66 Favored 'Trans proline' 0 CA--C 1.57 2.279 0 C-N-CA 114.616 -3.123 . . . . 25.0 117.058 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.401 ' HB3' ' H ' ' A' ' 744' ' ' SER . 57.1 Cg_endo -76.89 -172.36 1.4 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 116.602 -1.799 . . . . 25.0 116.649 176.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.47 -16.4 2.29 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.798 1.639 . . . . 25.0 111.769 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . 0.535 HE22 ' HB3' ' A' ' 819' ' ' GLU . 25.1 mm-40 -54.59 -34.43 61.96 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.13 82.89 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.766 -0.374 . . . . 25.0 110.818 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.34 -32.87 66.86 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.416 -0.514 . . . . 25.0 112.315 -177.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -50.98 68.94 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 172.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.63 -42.67 98.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.455 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.88 -41.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 122.853 0.461 . . . . 25.0 110.212 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.59 84.74 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.34 -12.13 50.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.443 -0.344 . . . . 25.0 111.808 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.484 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -81.09 153.14 27.49 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.142 -0.349 . . . . 25.0 111.225 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -70.8 133.13 86.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.338 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.4 88.62 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.549 2.832 . . . . 25.0 115.26 -174.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -89.85 98.37 11.73 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 47.6 p -141.54 163.55 32.63 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 157.52 178.21 31.35 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 106.932 -2.467 . . . . 25.0 106.932 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.49 -26.22 17.1 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 CA-C-N 119.401 1.6 . . . . 25.0 113.837 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -89.37 -3.77 58.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.173 0.987 . . . . 25.0 109.412 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 8.3 t -109.26 -175.08 2.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.318 -1.31 . . . . 25.0 108.846 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 156.22 41.82 Favored Pre-proline 0 C--N 1.316 -0.887 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.38 11.69 1.22 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 N-CA-C 114.168 0.796 . . . . 25.0 114.168 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -145.36 46.64 0.77 Allowed Glycine 0 C--O 1.222 -0.606 0 CA-C-O 119.095 -0.836 . . . . 25.0 114.445 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 139.59 48.39 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.98 149.96 40.75 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 111.389 0.144 . . . . 25.0 111.389 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -90.73 110.01 21.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.509 0.671 . . . . 25.0 110.544 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -70.11 -36.43 74.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.659 -1.155 . . . . 25.0 111.926 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -89.26 -25.97 21.42 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.962 0.727 . . . . 25.0 112.962 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.2 t -103.95 20.27 18.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.651 0.262 . . . . 25.0 110.99 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 4.4 p90 -44.38 153.58 0.15 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.547 2.054 . . . . 25.0 116.547 177.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 8.4 m -68.35 120.35 14.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.806 -1.088 . . . . 25.0 112.974 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 14.3 p -71.89 -22.11 61.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.373 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -102.72 26.41 8.05 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.633 -0.258 . . . . 25.0 110.702 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . 0.404 ' HB3' ' H ' ' A' ' 887' ' ' TYR . 4.3 mp 59.26 -151.03 0.42 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 107.265 -1.384 . . . . 25.0 107.265 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . 0.404 ' H ' ' HB3' ' A' ' 886' ' ' LEU . 4.1 p90 -74.1 11.17 0.97 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 123.274 0.63 . . . . 25.0 112.272 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -108.15 15.69 36.18 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 120.049 -0.306 . . . . 25.0 112.901 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.23 133.73 54.75 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 117.105 0.452 . . . . 25.0 110.341 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 1.4 t -162.06 -163.13 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -143.3 173.99 11.12 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 106.879 -1.526 . . . . 25.0 106.879 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.451 -0.785 . . . . 25.0 112.154 -176.068 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -2.458 0 CA-C-O 119.162 -0.799 . . . . 25.0 111.4 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 16.6 p -66.01 120.54 13.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 119.237 1.519 . . . . 25.0 113.096 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 15.6 m 62.45 -175.6 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.152 1.381 . . . . 25.0 113.832 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.54 149.21 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 175.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 31.1 t -95.27 155.94 16.53 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.99 -0.444 . . . . 25.0 109.864 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -28.76 69.91 Favored 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 175.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.88 -36.72 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.723 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -62.33 -41.61 98.7 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 121.472 0.654 . . . . 25.0 110.038 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.502 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.1 ptp -72.49 -21.04 61.27 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.53 -42.32 20.37 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.714 -0.395 . . . . 25.0 110.632 -175.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -38.39 63.79 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.151 -1.055 . . . . 25.0 108.151 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.4 t80 -70.51 -27.34 64.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -20.92 66.37 Favored 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.85 -23.33 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 118.454 0.57 . . . . 25.0 109.751 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.4 t -63.07 -13.24 33.56 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.048 -0.407 . . . . 25.0 110.883 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -56.02 -23.76 35.05 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.72 -13.31 12.68 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 120.769 0.319 . . . . 25.0 111.399 178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -67.06 -51.93 48.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.175 0.805 . . . . 25.0 113.175 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.52 1.44 38.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.361 -0.381 . . . . 25.0 111.637 -178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.431 ' HA ' HD13 ' A' ' 766' ' ' LEU . 20.8 t0 -56.62 103.0 0.09 Allowed 'General case' 0 CA--C 1.505 -0.752 0 CA-C-O 121.839 0.828 . . . . 50.0 111.781 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.517 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 38.8 mtt180 -55.41 -35.6 65.54 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 114.056 -1.429 . . . . 25.0 113.645 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -115.61 -3.09 12.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.848 -0.614 . . . . 75.0 111.025 -176.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.0 t60 60.39 33.04 20.77 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.074 1.509 . . . . 25.0 115.074 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 59.5 p -70.3 -10.43 58.95 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.341 0.656 . . . . 25.0 112.431 175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.83 16.4 56.44 Favored Glycine 0 CA--C 1.508 -0.36 0 N-CA-C 107.582 -2.207 . . . . 25.0 107.582 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.95 137.56 13.17 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 114.721 -0.74 . . . . 25.0 109.718 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -92.78 125.59 37.47 Favored 'General case' 0 C--O 1.199 -1.592 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.417 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -84.26 -164.71 37.98 Favored Glycine 0 C--O 1.198 -2.097 0 N-CA-C 109.413 -1.475 . . . . 25.0 109.413 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.79 -60.76 0.19 Allowed 'Trans proline' 0 C--N 1.33 -0.444 0 CA-C-N 120.874 2.337 . . . . 25.0 114.881 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -67.48 -16.88 64.45 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.963 0.887 . . . . 25.0 110.928 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.517 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 7.0 mt-10 -87.26 -46.15 9.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.242 -0.89 . . . . 50.0 109.561 -178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.443 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.4 t80 -59.36 -42.26 91.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 C-N-CA 123.506 0.722 . . . . 25.0 110.768 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -22.43 66.99 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.65 -35.38 20.96 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 45.1 t -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.124 0.964 . . . . 25.0 108.555 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 20.6 mt -57.51 -18.8 20.77 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 116.587 2.069 . . . . 25.0 116.587 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.5 mt -62.68 -39.23 83.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.9 m -75.01 -14.2 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.657 -0.702 . . . . 25.0 112.245 -175.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.95 -15.15 22.54 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.989 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.32 50.37 3.86 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 118.948 -1.596 . . . . 25.0 111.056 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.38 160.82 10.19 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.538 2.051 . . . . 25.0 116.538 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -92.37 13.44 19.46 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.817 0.818 . . . . 25.0 111.321 -175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.39 174.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.044 -0.98 . . . . 25.0 108.73 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.64 -160.84 9.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.898 -2.081 . . . . 25.0 107.898 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.23 4.95 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.684 0.742 . . . . 25.0 109.805 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -72.17 148.77 91.59 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.61 -22.9 37.34 Favored 'Trans proline' 0 CA--C 1.521 -0.161 0 CA-C-N 118.363 0.451 . . . . 25.0 112.257 -174.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.18 -39.91 82.39 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -84.08 -30.94 27.13 Favored Glycine 0 C--O 1.205 -1.703 0 C-N-CA 120.264 -0.97 . . . . 25.0 112.657 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -64.97 -26.23 68.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 118.461 1.13 . . . . 25.0 110.675 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.9 75.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -76.01 -34.76 59.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.175 -0.92 . . . . 25.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.4 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.04 -43.22 95.5 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 175.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -68.54 -32.12 71.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.09 0.471 . . . . 25.0 111.416 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 792' ' ' PHE . 16.2 mt -71.48 -41.63 72.82 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 109.027 -0.731 . . . . 25.0 109.027 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -23.0 27.3 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.115 0.484 . . . . 25.0 111.271 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.6 t -80.84 -29.71 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.621 177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.9 pt -91.01 -23.49 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.811 -0.555 . . . . 25.0 111.91 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 807' ' ' VAL . 33.6 m -91.71 24.21 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 122.284 1.04 . . . . 25.0 109.712 178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -130.94 68.51 81.96 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.297 -0.865 . . . . 25.0 110.232 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.66 0.47 4.81 Favored 'Trans proline' 0 CA--C 1.534 0.505 0 N-CA-C 114.743 1.017 . . . . 25.0 114.743 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -115.21 -4.03 12.47 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.028 0.831 . . . . 25.0 109.594 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 51.75 41.48 29.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.112 0.965 . . . . 25.0 112.863 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.503 HD13 HG23 ' A' ' 806' ' ' VAL . 0.1 OUTLIER -97.87 -10.33 24.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 114.755 -1.112 . . . . 25.0 108.946 177.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.78 21.89 51.75 Favored Glycine 0 N--CA 1.458 0.127 0 CA-C-N 115.901 -0.591 . . . . 25.0 113.463 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.503 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -143.91 152.92 15.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.908 -0.405 . . . . 25.0 109.908 -178.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.483 HG22 HG23 ' A' ' 799' ' ' VAL . 46.9 t -93.12 129.46 43.59 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.58 165.46 11.79 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 115.639 -0.709 . . . . 25.0 112.316 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.484 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -49.84 -40.06 40.98 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 114.952 1.464 . . . . 25.0 114.952 -179.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.91 -15.98 59.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.359 0.599 . . . . 25.0 110.578 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -90.04 -37.25 14.41 Favored 'General case' 0 C--O 1.214 -0.799 0 CA-C-N 115.362 -0.836 . . . . 25.0 112.157 -178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.484 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 65.2 m-85 -57.31 -32.22 66.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.374 0.606 . . . . 25.0 111.496 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.502 HG21 ' HE2' ' A' ' 748' ' ' MET . 8.7 mm -59.94 -33.41 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.486 -0.779 . . . . 25.0 111.014 -176.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.17 -46.06 53.91 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.02 -0.991 . . . . 25.0 111.056 177.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -74.65 -41.05 61.05 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.315 0.579 . . . . 25.0 110.221 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -34.02 58.64 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 32.2 t -80.88 -19.71 43.86 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.337 -1.477 . . . . 25.0 110.603 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -76.76 -21.55 55.05 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 116.602 -0.272 . . . . 25.0 111.226 176.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -58.86 -9.73 2.0 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.836 1.254 . . . . 25.0 112.923 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 44.4 p -70.91 1.36 5.67 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.288 -0.882 . . . . 25.0 112.72 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -112.97 152.26 29.61 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 107.93 -1.137 . . . . 25.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.2 158.62 27.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.092 0.473 . . . . 25.0 111.716 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.08 163.77 35.21 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.477 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -64.03 -34.61 78.41 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 122.486 1.136 . . . . 25.0 109.727 175.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 3.3 p -77.08 -13.41 59.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.717 -1.129 . . . . 25.0 112.39 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -60.87 -21.8 63.63 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.68 -33.56 68.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.911 0.862 . . . . 25.0 110.151 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -73.18 -40.61 64.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.868 -0.606 . . . . 25.0 112.541 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.6 p -77.17 -33.18 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.618 -0.433 . . . . 25.0 109.868 -175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 46.6 mtt -67.69 -6.07 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.127 0.489 . . . . 25.0 112.015 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.04 -24.19 64.33 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.928 -0.483 . . . . 25.0 110.971 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.5 p -60.33 -28.0 67.79 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.085 0.469 . . . . 25.0 111.337 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -66.86 -22.79 65.97 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.183 -0.323 . . . . 25.0 111.086 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -36.69 68.59 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.05 -43.18 89.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.179 -1.045 . . . . 25.0 108.179 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.61 -46.04 90.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.938 0.347 . . . . 25.0 111.938 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.27 90.0 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.816 0.817 . . . . 25.0 109.367 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.58 -86.57 1.04 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.978 -0.629 . . . . 25.0 112.076 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.91 -19.6 10.9 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 15.7 ptmt -73.78 155.22 39.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.197 0.522 . . . . 25.0 109.806 -176.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -90.85 3.11 55.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -148.31 161.21 41.99 Favored 'General case' 0 C--O 1.21 -1.016 0 N-CA-C 105.488 -2.042 . . . . 25.0 105.488 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.6 tp -113.04 150.69 15.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 75.1 p -89.16 150.37 22.72 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 105.68 -1.971 . . . . 25.0 105.68 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 56.2 mtt -54.12 -34.82 61.26 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.483 0.659 . . . . 25.0 110.093 175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -70.76 -27.17 63.73 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.196 0.813 . . . . 25.0 113.196 -176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -70.35 -35.03 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 176.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.2 -37.79 75.17 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.818 -1.179 . . . . 25.0 107.818 176.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -80.18 28.85 0.29 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.266 -0.879 . . . . 25.0 109.532 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -121.8 -35.92 3.12 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 106.755 -1.572 . . . . 25.0 106.755 -176.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.491 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 23.8 pt-20 -100.62 -21.71 15.18 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.086 -1.415 . . . . 25.0 108.683 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.491 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 9.6 mt -116.66 81.99 12.18 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -62.22 -25.69 77.06 Favored 'Trans proline' 0 CA--C 1.576 2.6 0 C-N-CA 113.907 -3.595 . . . . 25.0 117.249 170.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.15 -167.73 0.51 Allowed 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 117.005 1.887 . . . . 25.0 117.005 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.12 -20.56 26.5 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 114.278 -1.328 . . . . 25.0 112.218 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -35.06 71.16 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 120.268 -0.573 . . . . 25.0 111.336 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.26 -51.3 69.91 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.464 0.649 . . . . 25.0 111.324 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . 0.457 ' H ' ' HG2' ' A' ' 858' ' ' GLU . 5.3 pt-20 -77.07 -32.05 56.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.727 -0.669 . . . . 25.0 112.087 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -48.96 74.71 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 171.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.1 m -65.71 -44.26 86.62 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.801 -178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 31.2 mt -58.21 -42.5 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 120.924 0.392 . . . . 25.0 110.172 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.1 71.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -97.27 -15.55 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 121.827 -0.545 . . . . 25.0 111.129 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.502 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 6.9 ttm -69.85 154.82 41.44 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.189 -0.319 . . . . 25.0 111.347 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . . . . . . . . . . . -74.02 137.64 76.02 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.187 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.14 91.62 0.93 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 125.206 3.937 . . . . 25.0 112.912 -177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -89.99 107.81 19.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.659 1.218 . . . . 25.0 113.869 -177.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 81.2 p -125.98 166.12 17.53 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.123 -1.806 . . . . 25.0 106.123 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 152.48 179.28 27.94 Favored Glycine 0 C--O 1.226 -0.388 0 C-N-CA 120.324 -0.941 . . . . 25.0 111.807 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.85 -22.81 17.13 Favored 'Trans proline' 0 C--O 1.221 -0.357 0 C-N-CA 122.519 2.146 . . . . 25.0 115.148 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.51 4.11 23.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 8.7 t -95.99 175.11 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.771 -1.104 . . . . 25.0 109.804 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.82 157.16 79.06 Favored Pre-proline 0 CA--C 1.494 -1.19 0 CA-C-N 114.645 -1.161 . . . . 25.0 108.138 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.92 140.69 46.57 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 115.481 -2.546 . . . . 25.0 109.542 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 81.66 35.13 23.29 Favored Glycine 0 C--O 1.226 -0.353 0 C-N-CA 120.385 -0.912 . . . . 25.0 112.5 -177.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.84 136.32 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.455 -1.313 . . . . 25.0 107.455 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.6 mt -141.95 152.04 43.13 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.949 0.099 . . . . 25.0 110.996 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.31 107.15 18.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 121.598 0.713 . . . . 25.0 111.727 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -64.64 -34.98 79.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.489 -1.232 . . . . 25.0 111.703 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -95.92 -15.0 22.67 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.627 1.343 . . . . 25.0 114.627 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.4 t -114.32 20.21 15.68 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.6 p90 -48.4 156.55 0.41 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.888 1.07 . . . . 25.0 113.888 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 51.9 p -107.61 147.66 30.35 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 115.962 1.838 . . . . 25.0 115.962 -170.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 33.5 p -93.73 7.49 44.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.998 -1.001 . . . . 25.0 108.703 174.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -75.61 -23.13 56.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.996 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 4.6 mp 66.54 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 116.135 1.902 . . . . 25.0 116.135 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 57.52 30.63 19.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.376 -1.284 . . . . 25.0 111.684 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -93.22 48.64 2.41 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 114.887 -1.051 . . . . 25.0 115.067 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.23 -11.13 60.54 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.876 0.838 . . . . 25.0 111.617 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 48.9 m -144.74 154.37 42.65 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -117.36 -162.93 0.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.814 0.845 . . . . 25.0 110.771 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.578 -0.725 . . . . 25.0 110.862 -175.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.882 0 CA-C-O 118.626 -1.097 . . . . 25.0 111.358 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 9.1 m -28.85 90.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 119.167 3.025 . . . . 25.0 119.167 -174.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 45.6 t -162.94 132.36 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.772 -0.649 . . . . 25.0 110.623 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.21 156.15 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.918 -0.583 . . . . 25.0 109.638 174.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 45.1 t -101.01 163.1 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 110.027 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.39 -33.4 75.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.906 -0.775 . . . . 25.0 108.906 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.18 -38.34 56.7 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.451 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.9 tp60 -59.82 -42.19 92.97 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.426 0.454 . . . . 25.0 110.755 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.416 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.8 ptp -73.2 -22.11 60.53 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.601 -0.888 . . . . 25.0 108.601 -178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -41.32 30.99 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.991 -0.284 . . . . 25.0 111.695 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.76 -35.0 45.19 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 55.9 t80 -70.8 -28.09 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.12 -19.96 64.93 Favored 'General case' 0 C--O 1.199 -1.589 0 O-C-N 121.24 -0.913 . . . . 25.0 109.087 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.27 61.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 118.766 0.712 . . . . 25.0 109.821 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -14.05 48.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.039 -0.413 . . . . 25.0 110.262 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -23.74 51.8 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 173.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -110.28 -16.81 13.65 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.699 0.285 . . . . 25.0 111.631 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -63.99 -51.59 63.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -104.09 0.92 30.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.786 -0.643 . . . . 25.0 111.556 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.455 ' HA ' HD13 ' A' ' 766' ' ' LEU . 21.7 t0 -56.99 103.91 0.13 Allowed 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.835 0.826 . . . . 50.0 112.118 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 36.4 mtt180 -53.51 -38.46 63.74 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 114.206 -1.361 . . . . 25.0 114.37 -175.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -118.99 3.98 11.44 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 123.353 0.408 . . . . 50.0 111.258 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 57.68 41.34 25.51 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 122.06 0.933 . . . . 25.0 113.289 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -13.75 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.819 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 90.43 15.01 57.8 Favored Glycine 0 C--O 1.228 -0.248 0 N-CA-C 107.735 -2.146 . . . . 25.0 107.735 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 2.7 p -155.94 138.16 14.72 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.716 -0.846 . . . . 25.0 108.716 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.3 mm? -89.23 129.45 35.8 Favored 'General case' 0 C--O 1.196 -1.753 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.569 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -83.76 -168.34 43.49 Favored Glycine 0 C--O 1.198 -2.127 0 N-CA-C 109.6 -1.4 . . . . 25.0 109.6 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -62.71 -57.58 0.43 Allowed 'Trans proline' 0 CA--C 1.534 0.493 0 CA-C-N 120.813 2.307 . . . . 25.0 115.26 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -68.65 -16.8 63.95 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.996 0.903 . . . . 25.0 109.894 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 4.8 mt-10 -88.53 -45.78 9.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.091 -0.959 . . . . 50.0 110.619 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.498 ' CG ' HG21 ' A' ' 807' ' ' VAL . 19.9 t80 -58.63 -41.44 86.0 Favored 'General case' 0 CA--C 1.509 -0.607 0 C-N-CA 123.934 0.894 . . . . 25.0 109.994 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -21.95 66.23 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 116.295 -0.412 . . . . 25.0 110.547 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.55 -35.63 20.97 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 42.3 t -61.68 -48.11 82.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.528 -0.916 . . . . 25.0 108.528 177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.36 -18.74 18.83 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 116.773 2.138 . . . . 25.0 116.773 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.3 -38.66 82.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.6 m -76.95 -9.05 58.43 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.828 -0.624 . . . . 25.0 112.03 -177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.38 -9.41 22.26 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 109.855 -0.424 . . . . 25.0 109.855 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 79.2 41.98 12.86 Favored Glycine 0 C--O 1.225 -0.456 0 C-N-CA 118.601 -1.762 . . . . 25.0 111.242 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 163.87 0.8 Allowed 'General case' 0 C--O 1.213 -0.865 0 N-CA-C 117.635 2.457 . . . . 25.0 117.635 -179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -99.45 17.92 19.1 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.565 0.698 . . . . 25.0 111.16 -175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.68 170.98 18.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.361 -0.836 . . . . 25.0 109.757 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -167.18 -164.9 23.67 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 106.924 -2.47 . . . . 25.0 106.924 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -87.92 55.21 3.37 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 177.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -114.04 153.38 46.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 114.089 -1.414 . . . . 25.0 107.548 -176.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.06 -23.97 66.98 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.604 -1.131 . . . . 25.0 114.147 -175.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.04 -46.68 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.743 -0.466 . . . . 25.0 109.743 175.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.09 -29.88 73.63 Favored Glycine 0 C--O 1.212 -1.265 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.59 -28.33 69.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 118.933 1.366 . . . . 25.0 110.659 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.85 -42.89 48.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.72 -33.61 71.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.434 -0.803 . . . . 25.0 110.091 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -48.85 74.4 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 122.359 1.076 . . . . 25.0 109.913 174.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . 0.423 ' HA ' ' HB2' ' A' ' 796' ' ' MET . . . -69.59 -28.95 66.39 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 25.0 109.835 -176.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -64.57 -38.71 91.96 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.5 mt -76.26 -36.95 31.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.264 -1.754 . . . . 25.0 106.264 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.423 ' HB2' ' HA ' ' A' ' 793' ' ' ALA . 0.0 OUTLIER -56.7 -23.83 44.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 123.691 1.71 . . . . 25.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 4.7 t -82.13 -21.69 36.53 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 113.573 -1.649 . . . . 25.0 114.103 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.1 pt -91.92 -24.95 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.458 0 CA-C-O 125.374 2.511 . . . . 25.0 107.183 -174.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.903 ' HA ' ' HB1' ' A' ' 811' ' ' ALA 0.295 0.5 OUTLIER -94.19 11.19 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 CA-C-N 110.995 -2.821 . . . . 25.0 111.351 -174.928 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -128.09 61.48 52.65 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 125.237 1.585 . . . . 25.0 107.711 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.05 -1.56 10.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 117.49 -1.207 . . . . 25.0 114.658 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.17 -3.87 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 57.15 39.57 28.84 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.99 0.916 . . . . 25.0 112.922 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.434 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -101.0 -7.28 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.883 -1.053 . . . . 25.0 108.659 177.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.44 21.14 65.09 Favored Glycine 0 C--O 1.235 0.16 0 C-N-CA 120.954 -0.641 . . . . 25.0 113.406 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.434 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -138.88 152.88 24.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.185 -1.043 . . . . 25.0 108.185 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 799' ' ' VAL . 48.8 t -91.85 125.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 C-N-CA 122.914 0.486 . . . . 25.0 111.829 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . 0.51 ' O ' ' HB3' ' A' ' 811' ' ' ALA . 0.1 OUTLIER -104.38 167.25 9.87 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.494 0.664 . . . . 25.0 111.861 -179.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.63 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.7 OUTLIER -60.96 -30.44 70.25 Favored 'General case' 0 C--O 1.198 -1.606 0 N-CA-C 118.512 2.782 . . . . 25.0 118.512 -178.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -78.44 -14.99 59.12 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . 0.903 ' HB1' ' HA ' ' A' ' 799' ' ' VAL . . . -87.88 -62.49 1.48 Allowed 'General case' 0 C--O 1.198 -1.657 0 CA-C-N 114.956 -1.02 . . . . 25.0 110.7 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.63 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 69.2 m-85 -33.49 -35.66 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 116.186 1.921 . . . . 25.0 116.186 173.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.416 HG21 ' HE1' ' A' ' 748' ' ' MET . 19.8 mm -57.43 -35.3 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.629 0.771 . . . . 25.0 110.993 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -45.35 -51.98 10.45 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-O 121.74 0.781 . . . . 25.0 109.773 173.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -69.65 -43.68 72.09 Favored 'General case' 0 C--O 1.208 -1.13 0 CA-C-O 121.455 0.645 . . . . 25.0 111.155 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -31.16 61.52 Favored 'General case' 0 C--O 1.207 -1.143 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 22.7 t -82.71 -20.81 35.35 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.438 -1.413 . . . . 25.0 109.697 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -73.61 -21.51 60.29 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.481 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -14.3 11.65 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.354 1.062 . . . . 25.0 112.235 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 64.1 p -73.92 -3.56 29.71 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.925 -0.484 . . . . 25.0 111.443 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.2 132.07 48.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -65.55 141.69 58.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.052 -0.522 . . . . 25.0 110.726 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 3.7 m -140.13 157.04 46.25 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 109.272 -0.64 . . . . 25.0 109.272 -176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 122.493 1.139 . . . . 25.0 110.2 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -15.77 63.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.591 -1.186 . . . . 25.0 112.986 177.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.8 65.98 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 122.344 -0.222 . . . . 25.0 111.452 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.5 -33.07 70.89 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.995 0.903 . . . . 25.0 110.027 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -69.69 -40.41 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 25.0 112.057 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.48 -32.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.467 -0.938 . . . . 25.0 108.467 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 40.5 mtm -61.79 -18.85 61.47 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 111.711 0.263 . . . . 25.0 111.711 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.84 -19.44 4.4 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 111.991 0.367 . . . . 25.0 111.991 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 90.5 p -52.68 -30.39 31.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.944 0.498 . . . . 25.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . 0.409 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -62.43 -22.24 66.03 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.4 -0.813 . . . . 25.0 112.669 179.105 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -79.9 -34.79 38.77 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 120.978 -1.076 . . . . 25.0 108.592 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.6 mp -67.29 -43.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.79 -46.45 89.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.36 -0.382 . . . . 25.0 111.692 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.2 92.64 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.873 0.844 . . . . 25.0 109.239 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 76.65 -91.31 0.96 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 25.0 110.802 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -115.08 -6.59 12.5 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.158 0.799 . . . . 25.0 113.158 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -84.25 155.11 22.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.504 -0.747 . . . . 25.0 109.56 -174.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.33 1.45 54.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -146.76 161.28 40.95 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -113.34 151.2 15.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.6 p -91.61 150.86 20.97 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 105.649 -1.982 . . . . 25.0 105.649 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.6 mtt -55.56 -34.19 64.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.513 0.673 . . . . 25.0 109.215 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.41 -32.59 74.27 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.291 -0.868 . . . . 25.0 112.779 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.55 -39.0 74.22 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.862 -0.524 . . . . 25.0 110.482 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.33 -35.53 79.59 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.335 -0.987 . . . . 25.0 108.335 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -80.74 20.53 0.74 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 25.0 111.088 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -109.97 -42.36 4.24 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.743 -1.206 . . . . 25.0 107.743 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -90.96 -27.25 18.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.775 178.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 857' ' ' ALA . 0.0 OUTLIER -120.83 86.47 41.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.309 -0.405 . . . . 25.0 111.191 178.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -63.9 -23.24 68.44 Favored 'Trans proline' 0 CA--C 1.581 2.873 0 C-N-CA 113.876 -3.616 . . . . 25.0 117.732 165.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.451 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 33.1 Cg_endo -82.16 -164.61 0.28 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 116.891 1.843 . . . . 25.0 116.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.69 -28.89 50.89 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 113.996 1.109 . . . . 25.0 113.996 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -54.94 -31.24 60.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 122.065 -0.397 . . . . 25.0 110.925 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -68.39 -48.26 65.18 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 121.371 -0.831 . . . . 25.0 111.984 176.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.45 -34.73 76.48 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 120.34 -0.544 . . . . 25.0 110.772 -176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -51.75 67.22 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.499 174.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -44.09 95.27 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.575 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.1 mt -60.0 -42.51 89.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 122.734 0.414 . . . . 25.0 110.578 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.61 94.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.092 -0.504 . . . . 25.0 111.598 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -11.56 58.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.253 0.464 . . . . 25.0 112.253 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.471 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.8 ttm -77.09 150.54 35.65 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 112.434 0.531 . . . . 25.0 112.434 -177.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -72.61 141.59 82.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.954 -175.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.86 92.11 1.15 Allowed 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 124.926 3.75 . . . . 25.0 116.007 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.6 m-85 -93.01 107.75 19.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.691 0.758 . . . . 25.0 111.383 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -133.44 162.63 31.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.196 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 142.0 174.5 14.73 Favored Glycine 0 C--O 1.225 -0.446 0 N-CA-C 110.959 -0.856 . . . . 25.0 110.959 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.77 -20.05 17.83 Favored 'Trans proline' 0 C--O 1.219 -0.436 0 C-N-CA 122.529 2.153 . . . . 25.0 113.536 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -91.31 2.05 56.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 106.946 -1.502 . . . . 25.0 106.946 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 5.5 t -119.58 -172.58 2.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.13 -1.395 . . . . 25.0 108.925 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 4.1 m -124.31 157.0 66.09 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 106.086 -1.82 . . . . 25.0 106.086 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -73.15 18.39 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 121.44 1.427 . . . . 25.0 115.309 -174.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -152.61 47.86 0.55 Allowed Glycine 0 C--O 1.221 -0.715 0 N-CA-C 108.606 -1.798 . . . . 25.0 108.606 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 139.48 48.49 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.546 0.738 . . . . 25.0 109.042 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.5 mt -142.04 153.21 44.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.236 -0.438 . . . . 25.0 111.151 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.653 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 31.1 t0 -89.88 106.57 18.56 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.731 0.777 . . . . 25.0 110.374 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . 0.409 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 46.8 p90 -68.64 -35.72 77.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.331 -1.304 . . . . 25.0 112.324 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -90.81 -22.57 20.94 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.862 1.06 . . . . 25.0 113.862 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.7 t -108.78 20.47 18.45 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 25.0 110.238 178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 18.0 p90 -47.01 154.05 0.38 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.634 1.716 . . . . 25.0 115.634 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 38.0 t -78.98 109.04 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.867 -1.06 . . . . 25.0 113.672 -174.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.41 -17.82 63.02 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.918 -1.142 . . . . 25.0 107.918 172.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -84.17 6.87 20.85 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.703 -0.68 . . . . 25.0 110.831 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.1 mp 63.62 -173.61 0.16 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.971 0.908 . . . . 25.0 111.53 178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -72.53 34.43 0.07 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.959 1.304 . . . . 25.0 112.918 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -88.01 -21.47 45.94 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.066 -0.588 . . . . 25.0 113.752 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -81.57 126.54 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.396 -0.473 . . . . 25.0 111.859 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 61.0 p -162.58 161.43 26.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.072 -1.085 . . . . 25.0 108.072 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -148.66 137.01 21.16 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 105.17 -2.159 . . . . 25.0 105.17 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.109 -0.948 . . . . 25.0 112.224 -176.023 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.487 -0.245 . . . . 25.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . 0.45 ' H ' ' CG ' ' A' ' 855' ' ' ASP . 91.1 p -124.08 -3.34 8.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.172 0.989 . . . . 25.0 111.727 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 t 63.92 -156.89 0.31 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.171 0.988 . . . . 25.0 110.627 -177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.36 148.01 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-O 121.719 0.771 . . . . 25.0 110.565 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 29.9 t -93.3 157.04 16.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.917 -0.583 . . . . 25.0 109.961 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -30.82 71.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 177.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.72 -36.72 36.98 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.521 -0.472 . . . . 25.0 110.475 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -60.16 -38.33 82.84 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.537 0.684 . . . . 25.0 110.514 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.54 ' HE2' HG21 ' A' ' 813' ' ' ILE . 6.9 ptp -76.96 -21.61 54.49 Favored 'General case' 0 C--O 1.205 -1.264 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . 0.674 ' HA ' ' HD2' ' A' ' 752' ' ' ARG . 0.2 OUTLIER -82.67 -29.64 29.82 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.638 -0.664 . . . . 25.0 111.9 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.41 -33.37 25.74 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 105.706 -1.961 . . . . 25.0 105.706 174.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 31.5 t80 -81.83 -24.23 35.97 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 116.02 1.859 . . . . 25.0 116.02 -175.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . 0.674 ' HD2' ' HA ' ' A' ' 749' ' ' ASN . 0.0 OUTLIER -68.74 -16.97 63.97 Favored 'General case' 1 N--CA 1.363 -4.823 0 C-N-CA 115.544 -2.463 . . . . 25.0 111.373 179.459 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.36 -22.48 63.73 Favored 'General case' 0 C--N 1.271 -2.84 0 N-CA-C 103.233 -2.877 . . . . 25.0 103.233 -173.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.8 t -59.4 -14.7 13.04 Favored 'General case' 0 C--N 1.255 -3.535 0 C-N-CA 125.271 1.428 . . . . 25.0 110.034 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 812' ' ' PHE . 2.5 p90 -56.47 -24.88 48.75 Favored 'General case' 0 C--O 1.198 -1.618 0 N-CA-C 114.138 1.162 . . . . 25.0 114.138 171.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -6.92 12.97 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.205 0.941 . . . . 25.0 111.006 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -76.57 -55.34 5.61 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.132 -0.486 . . . . 25.0 112.081 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.421 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 1.0 OUTLIER -104.08 1.09 30.5 Favored 'General case' 0 CA--C 1.49 -1.331 0 C-N-CA 119.724 -0.79 . . . . 25.0 112.173 -177.471 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.472 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.9 t0 -47.05 102.53 0.03 OUTLIER 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.953 1.358 . . . . 50.0 112.488 174.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.423 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 13.1 ttp180 -53.62 -35.79 61.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 112.65 -2.068 . . . . 25.0 113.771 -175.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.76 3.97 10.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 50.0 111.343 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 58.17 36.08 25.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.298 0.851 . . . . 25.0 113.298 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 73.7 p -73.85 -6.77 49.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.027 0.531 . . . . 25.0 111.998 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 95.49 2.68 61.62 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 109.448 -1.461 . . . . 25.0 109.448 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 3.2 p -155.71 156.48 34.97 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.715 0.806 . . . . 25.0 109.543 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.757 HD23 ' HZ ' ' A' ' 812' ' ' PHE . 1.3 mm? -104.86 147.5 27.67 Favored 'General case' 0 C--O 1.2 -1.543 0 C-N-CA 119.328 -0.949 . . . . 25.0 108.92 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.492 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -88.65 -163.65 39.56 Favored Glycine 0 C--N 1.304 -1.203 0 N-CA-C 106.932 -2.467 . . . . 25.0 106.932 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.94 -55.85 0.24 Allowed 'Trans proline' 0 C--N 1.299 -2.06 0 CA-C-N 121.174 2.487 . . . . 25.0 112.609 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.47 -17.28 64.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.08 0.943 . . . . 25.0 110.569 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.492 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.7 mt-10 -88.75 -52.77 4.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 116.436 -1.745 . . . . 50.0 111.692 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.846 ' HB2' HG11 ' A' ' 807' ' ' VAL . 30.2 t80 -52.51 -37.78 58.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 123.023 2.647 . . . . 25.0 114.489 174.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -21.77 66.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.44 -38.23 18.88 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 39.2 t -56.21 -48.66 76.0 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.562 1.172 . . . . 25.0 109.043 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 21.8 mt -60.98 -18.8 59.5 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 117.741 2.497 . . . . 25.0 117.741 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 60.8 mt -63.34 -39.18 84.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 50.4 m -79.15 -4.64 51.44 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.332 -0.849 . . . . 25.0 111.792 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.9 -11.37 15.73 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-N 116.011 -0.54 . . . . 25.0 110.541 -178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 86.25 50.9 3.69 Favored Glycine 0 C--O 1.22 -0.749 0 C-N-CA 118.681 -1.724 . . . . 25.0 113.092 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.438 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.41 159.92 25.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 118.366 2.728 . . . . 25.0 118.366 -179.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -89.49 10.13 23.91 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.784 0.834 . . . . 25.0 111.132 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.54 171.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.303 -0.862 . . . . 25.0 111.357 -176.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -157.77 -163.16 12.34 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 105.997 -2.841 . . . . 25.0 105.997 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -84.72 10.14 12.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 117.636 0.718 . . . . 25.0 109.553 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.14 150.74 91.72 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.657 -0.701 . . . . 25.0 109.344 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.09 -22.92 61.35 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.702 -1.065 . . . . 25.0 113.424 -176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -83.67 -45.08 13.83 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.61 94.17 Favored Glycine 0 C--O 1.209 -1.433 0 C-N-CA 121.015 -0.612 . . . . 25.0 113.937 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.6 -25.78 66.78 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 118.407 1.104 . . . . 25.0 111.633 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.99 -40.51 46.46 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.477 -0.935 . . . . 25.0 108.477 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -68.28 -38.27 81.54 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.491 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.2 OUTLIER -62.54 -40.87 98.2 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.21 -32.2 73.76 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.428 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.5 ttp-105 -62.33 -44.59 96.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.9 mt -67.36 -38.01 80.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -28.22 50.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.089 0.471 . . . . 25.0 110.384 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.0 t -81.0 -29.83 35.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.504 0.557 . . . . 25.0 112.504 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 8.1 pt -83.1 -25.0 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.595 0.634 . . . . 25.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.559 ' HB ' ' HB1' ' A' ' 811' ' ' ALA . 26.1 m -85.33 16.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 CA-C-O 122.139 0.971 . . . . 25.0 109.389 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -119.45 53.43 2.33 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.491 175.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.07 -1.4 10.48 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 116.706 -1.73 . . . . 25.0 114.367 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -108.66 -2.11 18.97 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 57.42 40.68 27.18 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.171 1.174 . . . . 25.0 114.171 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -8.19 15.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.518 -1.219 . . . . 25.0 111.36 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 77.22 26.67 61.3 Favored Glycine 0 C--O 1.238 0.364 0 CA-C-N 116.069 -0.514 . . . . 25.0 112.949 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 766' ' ' LEU . 0.2 OUTLIER -142.07 154.8 19.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 121.967 -0.725 . . . . 25.0 111.588 -178.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.846 HG11 ' HB2' ' A' ' 771' ' ' PHE . 2.3 m -87.36 127.85 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.828 0 N-CA-C 107.089 -1.449 . . . . 25.0 107.089 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.76 173.72 6.22 Favored 'General case' 0 C--O 1.185 -2.303 0 O-C-N 124.942 1.401 . . . . 25.0 108.868 176.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.481 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.1 OUTLIER -54.48 -37.67 65.51 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 114.133 -1.394 . . . . 25.0 112.46 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -14.86 59.05 Favored 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 120.885 -0.326 . . . . 25.0 110.724 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . 0.559 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -85.68 -41.49 15.12 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 122.227 1.013 . . . . 25.0 109.58 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.757 ' HZ ' HD23 ' A' ' 766' ' ' LEU . 59.6 m-85 -51.39 -40.87 60.13 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 114.853 -1.067 . . . . 25.0 113.45 176.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.54 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.1 mm -62.51 -31.17 51.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-O 122.098 0.951 . . . . 25.0 111.427 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -53.31 -33.44 53.37 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.934 -1.03 . . . . 25.0 110.762 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -83.2 -48.38 10.56 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 120.706 0.289 . . . . 25.0 110.325 173.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.456 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -48.08 -34.67 9.99 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.557 2.058 . . . . 25.0 116.557 -177.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 6.9 t -75.15 -19.63 59.78 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 120.375 -1.453 . . . . 25.0 111.702 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -78.5 -18.15 55.21 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.828 0.451 . . . . 25.0 110.164 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.502 ' HB3' HE21 ' A' ' 856' ' ' GLN . 11.4 tp10 -49.67 -30.39 8.99 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 124.585 1.154 . . . . 25.0 112.243 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.5 p -68.12 4.94 1.05 Allowed 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.807 1.41 . . . . 25.0 114.807 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -88.1 -109.2 0.07 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 122.69 0.396 . . . . 25.0 111.544 176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -157.76 142.46 16.48 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.18 145.85 16.86 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.497 0.925 . . . . 25.0 113.497 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.44 -46.64 87.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.596 1.189 . . . . 25.0 111.524 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 13.7 p -72.03 -16.1 62.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.522 -1.217 . . . . 25.0 112.135 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.92 -22.06 65.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.686 0.279 . . . . 25.0 111.5 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.5 -35.28 75.56 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.877 0.846 . . . . 25.0 110.415 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.7 -40.59 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.944 -0.473 . . . . 25.0 111.717 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 12.4 p -74.47 -29.21 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -19.01 64.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.67 -19.35 1.53 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 78.0 p -54.14 -27.69 35.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.802 0.441 . . . . 25.0 112.117 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . 0.433 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.2 OUTLIER -60.01 -23.01 63.32 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.281 0.845 . . . . 25.0 113.281 178.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 6.6 tptt -77.06 -36.03 56.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 120.992 -1.067 . . . . 25.0 109.071 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.23 -42.56 91.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.45 -46.68 87.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.52 -44.08 88.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.607 0.717 . . . . 25.0 109.305 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.01 -89.72 0.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.593 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -115.0 -11.69 12.1 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.757 1.021 . . . . 25.0 113.757 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -79.76 155.31 27.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.324 0.583 . . . . 25.0 111.54 -172.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.6 -0.91 52.52 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.878 1.436 . . . . 25.0 114.878 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.41 ' CD1' ' HB1' ' A' ' 876' ' ' ALA . 36.0 p90 -154.65 161.1 41.73 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 105.849 -1.908 . . . . 25.0 105.849 -178.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.4 tp -110.4 148.43 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.889 -1.523 . . . . 25.0 106.889 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.8 p -90.82 150.8 21.42 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.199 -1.778 . . . . 25.0 106.199 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.9 mtt -56.25 -30.1 61.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.798 0.332 . . . . 25.0 110.512 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -34.73 79.03 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 122.759 0.424 . . . . 25.0 111.971 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.07 -36.86 72.42 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.067 -0.396 . . . . 25.0 110.835 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 72.6 mt -67.16 -41.3 86.25 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 107.405 -1.331 . . . . 25.0 107.405 176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 23.4 mtp-105 -80.64 32.48 0.3 Allowed 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 123.623 0.769 . . . . 25.0 111.114 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -132.6 -33.36 1.24 Allowed 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 106.752 -1.573 . . . . 25.0 106.752 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.499 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 21.5 pt-20 -97.79 -21.51 16.91 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.499 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 12.4 mt -117.87 86.49 25.06 Favored Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.903 0.382 . . . . 25.0 110.682 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.86 -24.02 74.33 Favored 'Trans proline' 0 CA--C 1.576 2.593 0 C-N-CA 114.194 -3.404 . . . . 25.0 117.472 169.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -84.67 -167.88 0.47 Allowed 'Trans proline' 0 C--N 1.365 1.445 0 N-CA-C 116.876 1.837 . . . . 25.0 116.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 741' ' ' SER . 69.6 m-20 -57.03 -16.33 6.96 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.718 1.377 . . . . 25.0 114.718 175.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . 0.502 HE21 ' HB3' ' A' ' 819' ' ' GLU . 0.9 OUTLIER -60.02 -27.26 66.75 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.619 -0.832 . . . . 25.0 109.143 176.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.92 -48.17 77.66 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.864 -0.522 . . . . 25.0 111.607 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.78 -35.14 74.63 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.353 -0.539 . . . . 25.0 110.5 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -51.54 67.93 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 174.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.37 -43.87 97.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.393 -0.192 . . . . 25.0 111.298 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 48.3 mt -60.55 -41.29 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.759 0.314 . . . . 25.0 110.254 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.26 -34.98 79.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.013 1.116 . . . . 25.0 114.013 -177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.36 -8.45 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.52 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.7 ttm -81.05 153.19 27.51 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.39 -0.819 . . . . 25.0 112.279 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -74.9 139.55 73.48 Favored Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 120.443 -0.503 . . . . 25.0 110.941 -174.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.58 92.1 1.04 Allowed 'Trans proline' 0 C--O 1.233 0.268 1 C-N-CA 125.341 4.027 . . . . 25.0 114.403 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.0 OUTLIER -90.67 113.92 26.1 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.485 1.135 . . . . 25.0 113.313 -178.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 74.0 p -135.24 139.43 44.45 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 105.449 -2.056 . . . . 25.0 105.449 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 165.52 -175.23 41.29 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 109.23 -1.548 . . . . 25.0 109.23 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.56 -23.48 12.85 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 122.724 2.283 . . . . 25.0 114.773 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -87.8 -25.58 23.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.407 1.099 . . . . 25.0 108.315 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 64.2 m -87.55 165.89 15.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.763 -1.562 . . . . 25.0 109.908 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.6 m -125.62 161.69 49.2 Favored Pre-proline 0 CA--C 1.482 -1.656 0 N-CA-C 106.862 -1.533 . . . . 25.0 106.862 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -65.6 132.18 30.11 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 114.182 -3.412 . . . . 25.0 108.091 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 86.69 37.34 8.72 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 120.719 -0.753 . . . . 25.0 111.992 -174.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 842' ' ' TYR . . . -112.86 139.45 48.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.184 -1.413 . . . . 25.0 107.184 177.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.92 149.9 40.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.704 -0.226 . . . . 25.0 110.94 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 22.6 t0 -88.18 110.27 20.56 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 121.593 0.711 . . . . 25.0 110.567 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . 0.433 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 51.9 p90 -70.24 -36.7 74.68 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.508 -1.224 . . . . 25.0 111.456 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -91.01 -16.39 28.02 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.88 1.067 . . . . 25.0 113.88 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.1 t -114.3 21.14 14.95 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 109.432 -0.581 . . . . 25.0 109.432 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.4 p90 -52.26 159.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 122.032 0.92 . . . . 25.0 113.112 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.2 m -78.26 114.42 17.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.391 -0.822 . . . . 25.0 109.905 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 65.4 p -71.06 -11.54 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.574 0.702 . . . . 25.0 109.382 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -104.39 138.5 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.025 -1.843 . . . . 25.0 106.025 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.17 154.11 28.25 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 25.0 110.401 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -46.09 -39.05 8.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.025 -0.989 . . . . 25.0 112.23 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 68.25 -152.76 52.66 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.508 0.505 . . . . 25.0 113.623 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -135.39 147.69 49.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 104.38 -2.452 . . . . 25.0 104.38 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 55.6 p -158.32 162.5 37.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.864 -0.791 . . . . 25.0 108.864 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -151.04 171.35 17.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.247 0 O-C-N 124.538 1.149 . . . . 25.0 112.438 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.423 0 CA-C-O 120.14 -0.256 . . . . 25.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 48.0 t -146.09 127.0 14.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 105.799 -1.926 . . . . 25.0 105.799 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 19.5 p -48.71 -49.78 36.44 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.081 0.467 . . . . 25.0 111.258 -176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.0 OUTLIER -116.8 142.26 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 CA-C-O 121.686 0.755 . . . . 25.0 111.639 171.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 83.4 p -97.55 166.58 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.336 -0.847 . . . . 25.0 109.311 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -63.38 -33.65 76.0 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.867 -0.419 . . . . 25.0 109.867 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -74.95 -40.16 60.94 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.717 -0.219 . . . . 25.0 111.294 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.8 -40.83 94.12 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.036 0.446 . . . . 25.0 110.837 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.8 ptp -74.94 -22.19 58.73 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 108.198 -1.038 . . . . 25.0 108.198 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -39.19 53.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.679 -0.237 . . . . 25.0 111.114 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.76 -38.1 39.47 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.419 -0.912 . . . . 25.0 109.785 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.435 ' CD2' ' HG3' ' A' ' 816' ' ' MET . 35.9 t80 -67.77 -27.55 66.85 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.701 -0.625 . . . . 25.0 112.626 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -61.72 -19.82 62.83 Favored 'General case' 0 C--O 1.2 -1.539 0 O-C-N 121.315 -0.865 . . . . 25.0 109.127 176.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -69.96 -22.07 63.19 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.454 1.025 . . . . 25.0 110.24 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -16.42 52.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.998 0.427 . . . . 25.0 110.171 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -23.72 43.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.198 0.814 . . . . 25.0 113.198 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.37 -15.61 13.54 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 111.723 0.268 . . . . 25.0 111.723 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -66.04 -49.49 67.48 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.265 0.839 . . . . 25.0 113.265 -173.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.423 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 2.8 m-85 -104.04 1.16 30.68 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 116.498 -0.319 . . . . 25.0 111.195 -178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 766' ' ' LEU . 16.7 t0 -56.85 103.29 0.11 Allowed 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 121.843 0.83 . . . . 50.0 112.04 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.503 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 88.0 mtt-85 -57.55 -35.97 71.02 Favored 'General case' 0 CA--C 1.478 -1.796 0 CA-C-N 114.605 -1.179 . . . . 25.0 113.796 -173.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -115.59 5.57 14.39 Favored 'General case' 0 N--CA 1.439 -0.99 0 O-C-N 123.9 0.75 . . . . 50.0 110.614 -177.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 19.2 p80 51.64 32.19 8.86 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 76.8 p -66.24 -12.91 59.14 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.038 0.755 . . . . 25.0 113.038 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 92.18 14.99 55.21 Favored Glycine 0 CA--C 1.507 -0.437 0 N-CA-C 108.132 -1.987 . . . . 25.0 108.132 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -157.0 136.33 12.07 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.4 mm? -88.18 130.39 35.07 Favored 'General case' 0 C--O 1.184 -2.347 0 N-CA-C 107.487 -1.301 . . . . 25.0 107.487 178.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.504 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -82.56 -170.46 45.47 Favored Glycine 0 C--O 1.195 -2.316 0 N-CA-C 109.077 -1.609 . . . . 25.0 109.077 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.54 -57.18 0.61 Allowed 'Trans proline' 0 CA--C 1.541 0.829 0 CA-C-N 120.884 2.342 . . . . 25.0 115.25 -176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -70.74 -16.36 62.76 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.212 1.006 . . . . 25.0 109.433 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 10.1 mt-10 -84.82 -47.66 10.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.386 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.469 ' CG ' HG21 ' A' ' 807' ' ' VAL . 18.5 t80 -58.4 -42.03 86.24 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 124.356 1.063 . . . . 25.0 111.922 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -22.13 65.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.774 -0.648 . . . . 25.0 109.928 -178.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.64 -32.69 21.89 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.297 -0.631 . . . . 25.0 109.297 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.423 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 42.3 t -62.82 -45.05 94.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 122.177 0.989 . . . . 25.0 108.613 176.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.69 -18.83 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 116.24 1.941 . . . . 25.0 116.24 -179.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 64.8 mt -62.33 -40.97 89.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 54.4 m -79.06 -4.23 49.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.498 -0.774 . . . . 25.0 111.725 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.33 -5.44 19.07 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.234 178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 81.84 51.76 4.39 Favored Glycine 0 C--O 1.226 -0.4 0 C-N-CA 118.545 -1.788 . . . . 25.0 112.171 175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.96 164.12 22.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 116.93 2.196 . . . . 25.0 116.93 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -98.02 7.89 45.62 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.694 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.82 -178.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.087 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -175.54 -165.61 31.87 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 104.087 -3.605 . . . . 25.0 104.087 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -85.84 25.7 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.736 1.268 . . . . 25.0 109.614 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.18 155.16 84.39 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 114.753 -1.112 . . . . 25.0 108.973 179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -64.68 -26.2 61.12 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.131 -1.446 . . . . 25.0 114.016 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -82.13 -44.7 16.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.296 0.569 . . . . 25.0 109.729 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -71.12 -28.75 69.74 Favored Glycine 0 C--O 1.206 -1.598 0 N-CA-C 116.714 1.445 . . . . 25.0 116.714 -173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -64.03 -29.14 70.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 119.25 1.525 . . . . 25.0 110.38 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -74.61 -41.27 60.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.798 0.809 . . . . 25.0 109.033 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -73.25 -34.04 65.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.055 -0.975 . . . . 25.0 109.754 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -46.69 82.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.65 71.25 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.437 -0.347 . . . . 25.0 111.529 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.81 -38.44 91.1 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 177.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 8.4 mt -78.13 -37.33 22.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 106.458 -1.682 . . . . 25.0 106.458 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.456 ' HA ' HG12 ' A' ' 799' ' ' VAL . 0.0 OUTLIER -56.45 -23.28 37.81 Favored 'General case' 0 N--CA 1.411 -2.391 0 CA-C-O 124.295 1.998 . . . . 25.0 111.135 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 11.2 t -81.25 -21.44 39.45 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-N 112.934 -1.939 . . . . 25.0 113.014 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 2.4 pt -93.98 -23.79 5.2 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 121.747 2.067 . . . . 25.0 108.23 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 1.003 ' HA ' ' HB1' ' A' ' 811' ' ' ALA 0.338 0.3 OUTLIER -94.94 15.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.265 0 CA-C-N 110.028 -3.26 . . . . 25.0 110.374 -173.622 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.82 62.65 65.4 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.46 -1.245 . . . . 25.0 108.983 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.9 -2.38 11.4 Favored 'Trans proline' 0 C--N 1.35 0.624 0 N-CA-C 114.792 1.035 . . . . 25.0 114.792 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -107.97 -3.9 18.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.675 -0.861 . . . . 25.0 108.675 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 55.26 40.84 31.71 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.085 0.954 . . . . 25.0 112.874 178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.409 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -103.02 -6.57 22.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.655 -1.157 . . . . 25.0 109.319 177.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 81.39 19.27 66.87 Favored Glycine 0 CA--C 1.512 -0.129 0 C-N-CA 120.9 -0.666 . . . . 25.0 113.209 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.409 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -137.92 154.27 28.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 -178.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.638 HG22 HG13 ' A' ' 799' ' ' VAL . 57.7 t -92.74 126.69 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 123.184 0.594 . . . . 25.0 111.569 -174.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 811' ' ' ALA . 0.1 OUTLIER -107.06 167.77 9.67 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-O 121.722 0.772 . . . . 25.0 111.99 -178.128 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.632 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -62.57 -29.61 70.71 Favored 'General case' 0 C--O 1.197 -1.659 0 N-CA-C 118.888 2.922 . . . . 25.0 118.888 -179.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -79.36 -15.27 58.16 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.746 -1.205 . . . . 25.0 107.746 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . 1.003 ' HB1' ' HA ' ' A' ' 799' ' ' VAL . . . -85.79 -62.35 1.55 Allowed 'General case' 0 C--O 1.201 -1.462 0 CA-C-N 115.653 -0.703 . . . . 25.0 111.139 -175.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.632 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.0 m-85 -33.65 -35.71 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.946 1.832 . . . . 25.0 115.946 173.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 23.5 mm -58.93 -33.39 49.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.301 0.64 . . . . 25.0 111.238 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -52.69 -39.66 62.18 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.861 -1.063 . . . . 25.0 109.172 177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -77.25 -46.82 21.9 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.704 0.684 . . . . 25.0 110.266 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.435 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -53.67 -31.51 47.95 Favored 'General case' 0 C--O 1.204 -1.298 0 N-CA-C 115.181 1.549 . . . . 25.0 115.181 -176.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.8 -19.82 60.04 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 120.136 -1.603 . . . . 25.0 111.426 177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -73.98 -19.32 60.7 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 115.479 -0.782 . . . . 25.0 110.306 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.507 ' HB3' HE22 ' A' ' 856' ' ' GLN . 10.6 tp10 -49.68 -32.24 12.84 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.283 0.989 . . . . 25.0 111.925 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.8 p -63.75 -2.64 1.86 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.654 1.354 . . . . 25.0 114.654 -178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -86.97 -145.63 0.12 Allowed 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 108.684 -0.858 . . . . 25.0 108.684 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.469 ' HB2' HH22 ' A' ' 863' ' ' ARG . 21.7 t0 -128.81 136.39 50.44 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.36 147.79 33.89 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 113.19 0.811 . . . . 25.0 113.19 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.18 -38.69 88.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.586 1.184 . . . . 25.0 109.966 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.1 p -75.16 -12.84 60.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.537 -1.21 . . . . 25.0 112.475 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.94 -23.25 65.14 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.81 -36.08 73.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.93 0.871 . . . . 25.0 110.076 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -68.58 -39.85 80.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.721 -0.672 . . . . 25.0 112.152 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.3 p -75.64 -34.96 30.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 44.6 mtt -69.94 -10.85 60.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -58.08 -24.31 58.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.86 -0.525 . . . . 25.0 110.875 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 7.1 m -59.29 -26.45 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.583 0.586 . . . . 25.0 112.583 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -64.2 -23.19 67.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 121.98 -0.45 . . . . 25.0 111.645 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.77 -36.23 75.59 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.473 -0.767 . . . . 25.0 109.173 175.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.61 -40.94 80.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.036 -1.468 . . . . 25.0 107.036 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -45.48 94.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.955 178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.93 87.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.86 0.838 . . . . 25.0 110.546 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 89.72 -107.07 3.38 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 105.347 -3.101 . . . . 25.0 105.347 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -118.63 2.99 11.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.582 1.191 . . . . 25.0 113.73 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 18.6 ptmt -76.66 148.64 36.74 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.679 -1.6 . . . . 25.0 106.679 -176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.03 -7.08 53.84 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.78 1.4 . . . . 25.0 114.78 -176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -140.0 163.07 33.67 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 3.6 tp -115.79 149.0 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 104.953 -2.24 . . . . 25.0 104.953 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 81.5 p -86.69 152.51 22.49 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 105.158 -2.164 . . . . 25.0 105.158 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.5 mtt -53.75 -35.6 61.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.489 0.661 . . . . 25.0 109.567 173.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -72.17 -29.15 63.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.672 0.99 . . . . 25.0 113.672 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.51 -39.18 81.34 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.88 -38.82 89.79 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -77.45 27.95 0.16 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.214 0.606 . . . . 25.0 110.622 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -127.83 -35.13 2.11 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.51 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.2 pt-20 -96.42 -23.75 16.45 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 176.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.51 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.3 mt -116.63 84.65 15.5 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 122.627 0.371 . . . . 25.0 110.831 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -62.76 -24.21 74.59 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 C-N-CA 114.788 -3.008 . . . . 25.0 116.988 171.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -77.85 -171.17 1.11 Allowed 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 116.167 -2.089 . . . . 25.0 116.317 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -58.9 -15.57 13.39 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 114.727 -1.124 . . . . 25.0 112.578 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . 0.507 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.1 mm-40 -52.04 -34.96 45.67 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.1 -54.69 41.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.458 -0.337 . . . . 25.0 110.911 177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -69.23 -33.91 74.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 112.534 0.568 . . . . 25.0 112.534 -175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -52.54 64.92 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 174.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 88.2 m -64.56 -42.02 95.94 Favored 'General case' 0 C--O 1.216 -0.678 0 CA-C-N 116.234 -0.439 . . . . 25.0 110.399 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 23.3 mt -58.32 -42.23 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.01 0.524 . . . . 25.0 110.476 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -65.26 -31.5 72.69 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 -177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . 0.469 HH22 ' HB2' ' A' ' 822' ' ' ASP . 0.0 OUTLIER -95.23 -10.09 31.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.709 0.766 . . . . 25.0 113.006 -178.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.491 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.7 ttm -76.95 159.5 29.92 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.234 0.827 . . . . 25.0 113.234 -176.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.87 131.0 89.54 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.664 -0.414 . . . . 25.0 111.089 -175.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.78 88.29 1.07 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 124.011 3.141 . . . . 25.0 115.507 -176.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -91.04 104.05 16.69 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 63.5 p -136.34 157.97 45.54 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.733 -0.604 . . . . 25.0 110.811 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.22 172.34 26.22 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 109.892 -1.283 . . . . 25.0 109.892 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.37 -20.74 18.14 Favored 'Trans proline' 0 C--O 1.22 -0.412 0 C-N-CA 122.379 2.052 . . . . 25.0 113.468 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -95.67 5.26 51.87 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 107.363 -1.347 . . . . 25.0 107.363 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.4 t -113.03 -174.67 2.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.269 -1.332 . . . . 25.0 107.998 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.45 156.11 42.73 Favored Pre-proline 0 C--N 1.316 -0.89 0 N-CA-C 106.152 -1.795 . . . . 25.0 106.152 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.31 48.12 2.24 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.025 1.816 . . . . 25.0 113.065 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 171.75 47.93 0.04 OUTLIER Glycine 0 C--O 1.219 -0.829 0 CA-C-O 119.33 -0.705 . . . . 25.0 112.265 -177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.88 134.88 54.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.05 146.11 35.11 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 11.6 t0 -82.24 111.81 18.66 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.146 -0.621 . . . . 25.0 110.459 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -68.35 -35.68 78.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.29 -0.868 . . . . 25.0 112.299 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -94.06 -24.96 17.39 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 17.4 t -98.25 15.72 23.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.395 -0.594 . . . . 25.0 109.395 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.491 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 7.1 p90 -57.13 172.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.98 -1.009 . . . . 25.0 112.894 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 70.3 m -124.32 132.51 53.56 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 112.777 0.658 . . . . 25.0 112.777 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 18.0 p -71.34 -28.99 64.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 174.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -63.72 126.82 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.79 146.92 54.18 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.239 -1.346 . . . . 25.0 112.479 -176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . 0.427 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 1.5 p90 -38.7 -40.93 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 113.572 -1.649 . . . . 25.0 114.958 174.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 83.14 -172.1 50.98 Favored Glycine 0 C--O 1.224 -0.491 0 C-N-CA 121.118 -0.563 . . . . 25.0 112.223 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -136.12 99.5 4.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.074 -1.454 . . . . 25.0 107.074 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 53.5 m -156.64 44.18 0.39 Allowed 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 -176.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -141.72 178.46 7.47 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.121 -1.437 . . . . 25.0 107.121 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.253 1.251 0 CA-C-O 117.514 -1.231 . . . . 25.0 112.497 -175.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.087 0 CA-C-O 118.917 -0.935 . . . . 25.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 50.1 m -155.09 113.03 3.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.143 0.971 . . . . 25.0 112.68 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 5.3 m 58.13 -171.65 0.1 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 118.966 2.951 . . . . 25.0 118.966 171.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -68.14 153.78 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 113.715 -1.584 . . . . 25.0 113.61 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 27.8 t -96.35 158.53 15.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.135 -0.939 . . . . 25.0 109.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.4 -27.89 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 25.0 109.861 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -81.15 -38.33 27.33 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.463 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 42.1 tp60 -60.96 -40.8 94.76 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.953 -0.567 . . . . 25.0 110.861 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.442 ' HE2' HG21 ' A' ' 813' ' ' ILE . 5.8 ptp -73.81 -21.0 60.29 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -78.44 -44.24 25.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.948 -0.301 . . . . 25.0 110.266 -177.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -76.13 -36.91 58.61 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.291 -0.633 . . . . 25.0 109.291 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 57.6 t80 -70.87 -24.43 62.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.696 -0.628 . . . . 25.0 112.59 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.28 -21.35 66.19 Favored 'General case' 0 C--O 1.198 -1.635 0 O-C-N 121.098 -1.001 . . . . 25.0 108.73 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -68.71 -22.5 64.34 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.069 0.849 . . . . 25.0 110.185 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -15.2 56.58 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 122.111 -0.368 . . . . 25.0 110.542 177.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -23.09 49.69 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.12 0.785 . . . . 25.0 113.12 174.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -115.6 -14.71 11.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.643 0.259 . . . . 25.0 111.588 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -63.85 -51.66 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.9 3.05 33.28 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 120.737 0.303 . . . . 25.0 110.639 -179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -57.07 104.51 0.16 Allowed 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 122.299 1.047 . . . . 50.0 112.118 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.527 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 41.9 ttt180 -50.15 -35.86 27.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 112.953 -1.931 . . . . 25.0 112.976 -176.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -123.5 1.98 8.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 50.0 111.956 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.0 t60 61.47 29.65 18.49 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 50.5 p -70.33 -9.78 57.12 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 177.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.04 19.39 59.31 Favored Glycine 0 CA--C 1.511 -0.2 0 N-CA-C 107.611 -2.195 . . . . 25.0 107.611 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.1 p -155.7 136.25 13.31 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.942 -1.129 . . . . 25.0 109.584 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.401 HD23 ' CZ ' ' A' ' 812' ' ' PHE . 4.6 mm? -99.27 126.15 45.04 Favored 'General case' 0 C--O 1.201 -1.468 0 N-CA-C 107.592 -1.262 . . . . 25.0 107.592 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.462 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -81.26 -167.43 38.24 Favored Glycine 0 C--O 1.199 -2.062 0 N-CA-C 109.594 -1.402 . . . . 25.0 109.594 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -62.87 -57.39 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.554 0 CA-C-N 120.633 2.217 . . . . 25.0 113.943 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.73 -17.35 64.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.562 0.696 . . . . 25.0 110.875 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.527 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.0 mt-10 -88.62 -45.83 9.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.701 -0.681 . . . . 50.0 110.087 -179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.473 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.9 t80 -59.45 -40.64 87.48 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.575 0.75 . . . . 25.0 110.53 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -22.77 66.33 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.849 -0.614 . . . . 25.0 110.251 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.49 -36.08 20.78 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.84 -48.33 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.27 -18.91 41.54 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 116.392 1.997 . . . . 25.0 116.392 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.25 -39.06 82.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 43.3 m -76.05 -8.54 57.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 25.0 111.88 -176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.01 -19.82 15.67 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 116.398 -0.365 . . . . 25.0 110.517 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 87.84 49.85 3.7 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 118.862 -1.637 . . . . 25.0 110.972 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.97 164.03 4.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 116.436 2.013 . . . . 25.0 116.436 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -96.56 17.67 15.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.861 0.838 . . . . 25.0 110.541 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.89 -177.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.767 -1.106 . . . . 25.0 109.65 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -173.8 -159.33 20.07 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 104.863 -3.295 . . . . 25.0 104.863 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -91.91 22.45 4.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.27 1.035 . . . . 25.0 108.207 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.55 152.26 87.44 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 107.906 -1.146 . . . . 25.0 107.906 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.27 -25.41 64.59 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 117.948 -0.901 . . . . 25.0 113.854 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -83.82 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -64.28 -32.56 84.61 Favored Glycine 0 C--O 1.206 -1.638 0 C-N-CA 120.69 -0.767 . . . . 25.0 114.766 -176.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.99 -27.71 68.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 119.084 1.442 . . . . 25.0 111.211 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.36 -41.22 48.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.18 -36.01 76.89 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.429 -0.805 . . . . 25.0 109.967 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -59.49 -44.89 92.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.228 -1.027 . . . . 25.0 108.228 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.87 74.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.842 -0.343 . . . . 25.0 111.274 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -62.13 -39.23 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.6 mt -73.18 -42.58 58.36 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.125 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -24.91 40.78 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.16 0.505 . . . . 25.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 29.4 t -81.58 -18.47 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.409 -0.814 . . . . 25.0 112.162 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.8 pt -102.02 -23.4 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.736 1.013 . . . . 25.0 113.736 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.539 HG23 HG22 ' A' ' 807' ' ' VAL . 30.0 m -93.2 23.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 25.0 112.141 -175.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.31 64.14 26.5 Favored Pre-proline 0 CA--C 1.552 1.044 0 CA-C-O 122.067 0.937 . . . . 25.0 108.985 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 -4.29 8.13 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.507 1.472 . . . . 25.0 115.275 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.73 -0.94 23.18 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 107.194 -1.41 . . . . 25.0 107.194 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 54.22 42.51 31.47 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.81 1.244 . . . . 25.0 113.938 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 804' ' ' LEU . 0.2 OUTLIER -105.16 -6.66 19.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.64 -1.618 . . . . 25.0 110.819 177.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 76.6 24.93 66.41 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.843 -0.694 . . . . 25.0 113.726 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.39 153.55 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.539 HG22 HG23 ' A' ' 799' ' ' VAL . 45.1 t -89.87 125.68 42.79 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 N-CA-C 110.385 -0.228 . . . . 25.0 110.385 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 4.6 p -103.77 168.65 9.0 Favored 'General case' 0 CA--C 1.494 -1.189 0 O-C-N 124.16 0.912 . . . . 25.0 111.791 -177.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.554 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 7.1 p90 -50.62 -47.31 58.36 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 115.86 1.8 . . . . 25.0 115.86 176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -16.42 63.14 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 115.249 -0.887 . . . . 25.0 110.736 179.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.28 -37.95 16.72 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 114.993 -1.003 . . . . 25.0 110.616 -177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.554 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 59.1 m-85 -57.54 -33.58 68.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.949 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.442 HG21 ' HE2' ' A' ' 748' ' ' MET . 8.8 mm -60.41 -32.98 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.428 -0.806 . . . . 25.0 111.766 -176.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -47.93 -49.53 29.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.059 -0.973 . . . . 25.0 110.263 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -73.78 -42.07 61.54 Favored 'General case' 0 C--O 1.208 -1.107 0 CA-C-O 121.705 0.764 . . . . 25.0 110.66 177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.513 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -55.82 -27.85 53.35 Favored 'General case' 0 C--O 1.208 -1.084 0 N-CA-C 114.621 1.341 . . . . 25.0 114.621 -178.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 23.9 t -85.87 -19.67 30.23 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.544 -1.347 . . . . 25.0 111.318 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -68.5 -22.25 64.54 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 121.114 0.483 . . . . 25.0 109.986 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.536 ' HB3' HE21 ' A' ' 856' ' ' GLN . 17.4 tp10 -54.73 -15.84 2.13 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.884 1.674 . . . . 25.0 114.264 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 34.5 p -70.39 1.61 4.8 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.739 -0.601 . . . . 25.0 112.483 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -122.67 154.23 38.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.464 -1.31 . . . . 25.0 107.464 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -79.8 163.85 24.1 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.067 0.765 . . . . 25.0 113.067 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.15 163.85 31.86 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.574 0.953 . . . . 25.0 113.574 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.38 -37.92 89.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 122.201 1.0 . . . . 25.0 110.024 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 17.1 p -72.48 -14.92 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.269 -0.878 . . . . 25.0 111.879 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -58.23 -26.85 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.059 0.225 . . . . 25.0 111.373 -176.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -59.02 -28.86 66.8 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.729 0.776 . . . . 25.0 111.437 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -84.41 -42.21 15.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.775 -0.578 . . . . 25.0 111.97 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 826' ' ' ALA . 10.0 p -76.02 -29.7 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.561 -0.456 . . . . 25.0 111.283 -174.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -64.68 -13.53 54.58 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.922 -0.486 . . . . 25.0 111.205 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -60.02 -26.09 65.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 176.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 91.1 p -62.96 -26.32 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 25.0 111.794 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.67 -24.69 67.76 Favored 'General case' 0 C--O 1.221 -0.426 0 O-C-N 122.092 -0.38 . . . . 25.0 110.658 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -71.92 -36.07 69.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.402 -0.811 . . . . 25.0 109.223 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.82 -40.64 76.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.273 -1.38 . . . . 25.0 107.273 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -40.06 94.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 25.0 110.026 178.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -28.43 66.0 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.431 1.11 . . . . 25.0 111.597 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.39 -83.05 1.12 Allowed Glycine 0 C--O 1.185 -2.937 0 CA-C-O 122.369 0.983 . . . . 25.0 113.624 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -114.6 -28.46 7.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 113.681 -1.259 . . . . 25.0 112.663 -173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -84.7 165.73 17.63 Favored 'General case' 0 N--CA 1.422 -1.842 0 N-CA-C 113.89 1.07 . . . . 25.0 113.89 -169.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -91.73 1.86 56.88 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 124.355 1.062 . . . . 25.0 112.94 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -136.42 163.38 30.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 105.733 -1.951 . . . . 25.0 105.733 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.2 tp -120.74 150.86 23.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 105.242 -2.132 . . . . 25.0 105.242 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 72.3 p -92.6 153.48 18.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 58.8 mtt -55.55 -32.74 63.22 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 120.998 0.428 . . . . 25.0 110.152 173.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.7 -37.03 84.85 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 123.338 0.655 . . . . 25.0 112.557 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -68.81 -37.43 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.672 0.273 . . . . 25.0 111.355 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.48 -36.6 73.95 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.27 -1.011 . . . . 25.0 108.27 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -81.42 30.73 0.34 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.97 -0.559 . . . . 25.0 110.551 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -132.62 -40.37 0.97 Allowed 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.531 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 20.9 pt-20 -91.94 -20.74 21.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.405 177.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.531 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 7.6 mt -122.26 87.58 48.24 Favored Pre-proline 0 N--CA 1.474 0.738 0 C-N-CA 122.791 0.436 . . . . 25.0 111.2 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.54 -25.68 79.77 Favored 'Trans proline' 0 CA--C 1.578 2.685 0 C-N-CA 114.345 -3.303 . . . . 25.0 118.258 171.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 57.8 Cg_endo -79.77 -169.3 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 118.226 2.356 . . . . 25.0 118.226 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -53.5 -21.63 6.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.596 -1.638 . . . . 25.0 112.459 175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . 0.536 HE21 ' HB3' ' A' ' 819' ' ' GLU . 41.6 mt-30 -56.71 -36.61 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.246 -0.284 . . . . 25.0 110.72 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.73 -51.82 68.33 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.133 0.492 . . . . 25.0 111.308 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.41 -31.76 60.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.605 0.595 . . . . 25.0 112.605 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -50.18 71.33 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 85.8 m -63.07 -45.07 93.88 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.114 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.2 mt -59.0 -41.65 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.957 0.408 . . . . 25.0 110.916 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.44 91.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.972 -0.558 . . . . 25.0 111.748 -177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -12.24 46.03 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.28 0.474 . . . . 25.0 112.28 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 1.4 ttm -75.14 153.13 38.39 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.934 -0.479 . . . . 25.0 110.946 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -69.33 134.83 88.93 Favored Pre-proline 0 C--O 1.222 -0.392 0 C-N-CA 120.512 -0.475 . . . . 25.0 110.395 -175.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.12 92.63 1.05 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.811 2.341 . . . . 25.0 114.206 -176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -92.75 98.17 11.24 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.914 0.864 . . . . 25.0 108.742 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.2 p -132.79 162.8 30.54 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -177.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 150.38 177.29 24.19 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 109.708 -1.357 . . . . 25.0 109.708 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.36 -21.45 17.4 Favored 'Trans proline' 0 C--O 1.219 -0.464 0 C-N-CA 122.147 1.898 . . . . 25.0 113.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -96.22 4.36 52.46 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 6.3 t -116.59 -173.22 2.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.282 -1.326 . . . . 25.0 108.815 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 3.3 m -120.1 156.04 55.09 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.59 26.43 0.35 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 121.718 1.612 . . . . 25.0 114.606 -175.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -160.51 44.3 0.42 Allowed Glycine 0 C--O 1.219 -0.791 0 N-CA-C 111.001 -0.839 . . . . 25.0 111.001 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.89 140.25 47.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 5.8 mt -141.94 152.06 43.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.242 -0.436 . . . . 25.0 111.622 178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 25.1 t0 -89.35 108.32 19.57 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.313 0.578 . . . . 25.0 109.947 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -65.05 -39.27 93.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.405 -1.271 . . . . 25.0 110.696 -176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -89.04 -30.47 18.68 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.773 1.397 . . . . 25.0 114.773 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.4 t -97.56 19.03 14.12 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.923 -0.485 . . . . 25.0 111.088 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 5.9 p90 -44.64 155.78 0.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.067 1.877 . . . . 25.0 116.067 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 36.8 t -82.45 113.14 20.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.744 0.783 . . . . 25.0 112.641 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 36.1 p -75.56 -9.83 58.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.702 -0.681 . . . . 25.0 109.208 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -96.74 15.72 21.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.595 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 6.2 mp 65.41 -175.4 0.18 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 124.117 0.885 . . . . 25.0 110.002 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -38.3 72.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -178.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 73.93 -147.51 38.27 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.053 -1.219 . . . . 25.0 110.053 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -117.5 151.71 36.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 66.3 p -76.52 142.04 41.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.046 0.387 . . . . 25.0 112.046 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -83.78 110.57 18.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.941 -1.874 . . . . 25.0 105.941 174.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.898 -1.049 . . . . 25.0 112.192 -175.028 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.392 0 N-CA-C 112.36 -0.296 . . . . 25.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 23.9 m -141.74 52.0 1.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.322 0.86 . . . . 25.0 113.322 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 28.7 p 62.17 -159.65 0.32 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 116.895 2.183 . . . . 25.0 116.895 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.2 OUTLIER -65.01 150.64 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 30.1 t -97.51 158.68 15.36 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.863 0.465 . . . . 25.0 110.689 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.51 69.04 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.014 -0.539 . . . . 25.0 109.923 176.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -80.11 -37.68 33.14 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.286 -0.259 . . . . 25.0 110.562 177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.185 0.517 . . . . 25.0 110.559 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.44 ' HE1' HG21 ' A' ' 813' ' ' ILE . 6.6 ptp -72.32 -21.06 61.38 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.26 -39.2 23.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.91 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -75.4 -38.98 59.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 175.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 35.2 t80 -68.98 -28.69 66.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -19.67 60.7 Favored 'General case' 0 C--O 1.197 -1.688 0 O-C-N 121.231 -0.918 . . . . 25.0 109.797 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -67.54 -22.27 65.42 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.073 0.852 . . . . 25.0 110.325 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 1.6 t -63.93 -14.82 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.848 -0.533 . . . . 25.0 110.485 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -22.9 43.97 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.921 0.712 . . . . 25.0 112.921 173.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.96 -17.36 12.9 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 111.918 0.34 . . . . 25.0 111.918 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -62.85 -53.65 50.93 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.277 0.843 . . . . 25.0 113.277 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.05 3.02 32.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.156 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' A' ' 766' ' ' LEU . 20.1 t0 -56.67 104.42 0.15 Allowed 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 122.711 1.244 . . . . 50.0 112.327 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.447 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 41.6 ttt180 -55.43 -30.17 59.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 112.775 -2.011 . . . . 25.0 113.389 -174.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.52 3.6 7.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 57.38 38.43 28.38 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.981 0.896 . . . . 25.0 112.947 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 48.4 p -78.71 -8.39 58.66 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.84 -0.537 . . . . 25.0 112.314 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.64 63.02 Favored Glycine 0 C--O 1.23 -0.132 0 N-CA-C 107.928 -2.069 . . . . 25.0 107.928 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.58 136.32 12.49 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-N 114.102 -1.049 . . . . 25.0 109.996 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 759' ' ' ASP . 4.5 mm? -98.26 125.03 43.17 Favored 'General case' 0 C--O 1.198 -1.625 0 N-CA-C 108.808 -0.812 . . . . 25.0 108.808 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.469 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -80.91 -169.29 41.09 Favored Glycine 0 C--O 1.191 -2.593 0 N-CA-C 109.234 -1.547 . . . . 25.0 109.234 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -59.85 -59.81 0.36 Allowed 'Trans proline' 0 C--N 1.329 -0.467 0 CA-C-N 121.504 2.652 . . . . 25.0 114.016 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.45 -16.82 64.4 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.534 0.683 . . . . 25.0 110.955 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 9.8 mt-10 -89.62 -45.59 9.25 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 120.109 -0.636 . . . . 50.0 110.018 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.45 ' CG ' HG21 ' A' ' 807' ' ' VAL . 24.7 t80 -59.14 -39.43 82.37 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 124.24 1.016 . . . . 25.0 110.961 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -23.15 65.83 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 115.936 -0.575 . . . . 25.0 110.438 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.58 -34.13 21.53 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.994 -0.743 . . . . 25.0 108.994 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 51.2 t -61.1 -46.8 89.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.724 0.773 . . . . 25.0 109.372 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 46.9 mt -61.37 -18.83 60.58 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 116.451 2.019 . . . . 25.0 116.451 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.55 -38.28 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 21.1 t -73.74 -7.8 53.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.649 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.2 -5.58 15.88 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 123.371 0.42 . . . . 25.0 110.342 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 75.25 44.87 21.32 Favored Glycine 0 C--O 1.221 -0.658 0 C-N-CA 118.294 -1.907 . . . . 25.0 111.515 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 780' ' ' TYR . 0.0 OUTLIER -51.07 162.72 0.26 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 120.866 3.654 . . . . 25.0 120.866 -178.306 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.544 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 28.0 t0 -85.0 9.98 13.13 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.008 1.723 . . . . 25.0 110.643 -175.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.0 169.84 19.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.247 -0.888 . . . . 25.0 108.663 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -154.4 -168.12 17.37 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 107.982 -2.047 . . . . 25.0 107.982 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.33 48.45 1.4 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -109.51 153.79 42.66 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 114.886 -1.052 . . . . 25.0 109.142 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.21 -25.52 57.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 116.859 -1.627 . . . . 25.0 112.926 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -81.31 -43.25 19.38 Favored 'General case' 0 C--O 1.219 -0.535 0 C-N-CA 120.801 -0.36 . . . . 25.0 110.519 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -70.45 -31.51 68.35 Favored Glycine 0 C--O 1.213 -1.161 0 C-N-CA 120.141 -1.028 . . . . 25.0 114.24 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.4 -27.47 68.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 118.118 0.959 . . . . 25.0 109.778 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.84 -40.45 47.71 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -70.85 -36.0 72.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.294 -0.866 . . . . 25.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -49.25 72.29 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 174.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.82 74.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.109 0.481 . . . . 25.0 111.637 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -61.77 -41.81 98.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 11.4 mt -71.77 -41.66 70.29 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.994 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -27.53 31.43 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.168 0.508 . . . . 25.0 110.937 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.59 -32.33 53.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.907 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.8 pt -85.57 -23.48 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 121.691 -0.631 . . . . 25.0 111.946 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.551 HG23 HG22 ' A' ' 807' ' ' VAL . 33.5 m -92.42 24.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.974 0.893 . . . . 25.0 110.56 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -124.62 62.86 34.87 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 121.909 0.861 . . . . 25.0 110.373 174.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.0 -0.22 6.79 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 N-CA-C 115.068 1.142 . . . . 25.0 115.068 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -112.47 -2.76 14.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 37.9 25.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.11 0.964 . . . . 25.0 112.789 176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.494 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -105.33 -7.23 18.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.687 -0.688 . . . . 25.0 111.572 -179.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.19 62.31 Favored Glycine 0 C--N 1.323 -0.147 0 C-N-CA 121.204 -0.522 . . . . 25.0 113.407 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.494 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -141.83 152.19 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.469 -0.567 . . . . 25.0 109.469 -178.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.551 HG22 HG23 ' A' ' 799' ' ' VAL . 47.9 t -93.89 128.43 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.6 166.93 10.52 Favored 'General case' 0 C--O 1.206 -1.208 0 N-CA-C 112.237 0.458 . . . . 25.0 112.237 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.501 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.4 OUTLIER -48.49 -42.42 32.76 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 114.881 1.438 . . . . 25.0 114.881 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.38 -15.46 59.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.441 0.639 . . . . 25.0 110.55 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -90.19 -37.02 14.44 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.26 -0.882 . . . . 25.0 111.457 -177.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.501 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 68.5 m-85 -58.17 -31.81 67.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 25.0 111.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.44 HG21 ' HE1' ' A' ' 748' ' ' MET . 10.3 mm -61.53 -31.97 52.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.52 0.676 . . . . 25.0 111.363 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -50.95 -45.22 60.63 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.105 -0.952 . . . . 25.0 109.578 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.544 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 3.2 t80 -74.01 -43.18 58.88 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-O 121.545 0.688 . . . . 25.0 110.743 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 743' ' ' ILE . 0.0 OUTLIER -56.15 -28.61 58.65 Favored 'General case' 0 C--O 1.207 -1.138 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 28.2 t -85.86 -19.85 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 120.153 -1.592 . . . . 25.0 110.911 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.08 -27.82 61.08 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.49 ' HB3' HE22 ' A' ' 856' ' ' GLN . 4.8 tt0 -57.4 -16.39 9.12 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.611 1.564 . . . . 25.0 113.789 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 55.2 p -71.07 -4.31 24.39 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.76 -0.587 . . . . 25.0 111.88 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -90.54 146.25 24.23 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.32 139.13 54.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.541 -0.299 . . . . 25.0 110.202 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.86 152.75 40.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 111.792 0.293 . . . . 25.0 111.792 -176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.57 -47.16 79.74 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.416 1.103 . . . . 25.0 110.499 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -15.78 63.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.814 -1.085 . . . . 25.0 112.532 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -64.1 -20.16 65.77 Favored 'General case' 0 C--O 1.22 -0.475 0 N-CA-C 111.836 0.309 . . . . 25.0 111.836 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -57.02 -36.34 70.33 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.105 0.955 . . . . 25.0 109.947 177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.06 -38.88 86.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.222 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.63 -36.07 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 92.6 mtp -68.03 -14.76 63.22 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.513 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -51.88 -19.4 1.73 Allowed 'General case' 0 C--O 1.242 0.66 0 N-CA-C 112.463 0.542 . . . . 25.0 112.463 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 81.3 p -53.34 -28.24 27.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.152 0.581 . . . . 25.0 112.244 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . 0.411 ' CG ' ' HB2' ' A' ' 879' ' ' TYR . 0.3 OUTLIER -60.31 -24.1 64.72 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.632 0.651 . . . . 25.0 112.312 178.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -77.78 -36.02 50.95 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 121.118 -0.989 . . . . 25.0 108.835 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.08 -43.32 85.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.76 -46.19 89.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.191 0.441 . . . . 25.0 112.191 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.8 94.25 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 108.219 -1.03 . . . . 25.0 108.219 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 80.0 -96.84 1.6 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 108.388 -1.885 . . . . 25.0 108.388 -176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.17 1.71 11.37 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -81.21 155.07 26.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -87.72 2.36 51.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.977 1.473 . . . . 25.0 114.977 -175.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -148.77 161.77 41.12 Favored 'General case' 0 C--O 1.208 -1.123 0 N-CA-C 105.773 -1.936 . . . . 25.0 105.773 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.4 tp -114.15 153.62 15.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 106.453 -1.684 . . . . 25.0 106.453 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 68.9 p -92.82 151.36 20.05 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 64.4 mtt -57.13 -32.61 66.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.358 0.599 . . . . 25.0 109.472 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.85 -33.38 75.49 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.575 -0.739 . . . . 25.0 112.453 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.09 -40.46 78.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.25 -40.24 90.06 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -76.12 13.8 0.83 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.014 -0.539 . . . . 25.0 112.401 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -111.04 -36.47 5.63 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.473 -0.936 . . . . 25.0 108.473 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.97 -29.96 21.64 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 108.703 -0.851 . . . . 25.0 108.703 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.23 93.12 48.81 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.408 -0.36 . . . . 25.0 110.811 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -64.88 -21.67 63.96 Favored 'Trans proline' 0 CA--C 1.579 2.757 0 C-N-CA 114.441 -3.239 . . . . 25.0 118.144 169.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -84.61 -165.45 0.3 Allowed 'Trans proline' 0 C--N 1.366 1.472 0 N-CA-C 117.365 2.025 . . . . 25.0 117.365 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.56 -26.45 5.28 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.8 1.64 . . . . 25.0 112.446 174.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . 0.49 HE22 ' HB3' ' A' ' 819' ' ' GLU . 22.0 mm-40 -54.96 -36.2 65.07 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.153 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -69.08 -48.01 63.77 Favored 'General case' 0 C--O 1.221 -0.42 0 O-C-N 121.713 -0.617 . . . . 25.0 112.48 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.29 -31.41 68.74 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.05 0.452 . . . . 25.0 110.645 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -54.78 39.8 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 107.99 -1.115 . . . . 25.0 107.99 172.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 95.8 m -61.78 -41.5 97.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.671 -0.241 . . . . 25.0 111.085 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 40.7 mt -60.07 -41.17 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.017 0.437 . . . . 25.0 110.421 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . 0.407 ' HB1' ' CD1' ' A' ' 887' ' ' TYR . . . -66.02 -32.42 73.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -92.11 -9.88 40.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.975 0.417 . . . . 25.0 111.285 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.54 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.8 ttm -79.16 154.1 29.56 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.319 -0.863 . . . . 25.0 112.86 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.647 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -73.69 138.13 77.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 120.667 -0.413 . . . . 25.0 110.831 -175.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.16 94.61 1.02 Allowed 'Trans proline' 0 CA--C 1.529 0.23 1 C-N-CA 126.039 4.493 . . . . 25.0 115.488 -174.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -96.61 113.73 25.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.501 0.667 . . . . 25.0 112.591 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.8 p -136.58 163.03 31.5 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 168.1 175.48 37.83 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.278 -1.129 . . . . 25.0 110.278 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.0 -22.76 16.85 Favored 'Trans proline' 0 C--O 1.221 -0.358 0 C-N-CA 122.547 2.165 . . . . 25.0 114.644 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.03 11.3 25.88 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 12.3 m -107.31 167.4 9.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.355 -1.293 . . . . 25.0 109.115 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.67 156.87 34.69 Favored Pre-proline 0 C--N 1.315 -0.931 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -71.78 0.86 6.44 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 O-C-N 122.357 0.662 . . . . 25.0 113.615 -177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . -130.36 54.63 0.78 Allowed Glycine 0 C--O 1.22 -0.764 0 N-CA-C 111.385 -0.686 . . . . 25.0 111.385 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -113.04 139.67 48.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -142.03 152.21 43.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.727 -0.215 . . . . 25.0 111.46 177.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 26.1 t0 -88.75 106.09 18.13 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 121.416 0.627 . . . . 25.0 110.126 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . 0.411 ' HB2' ' CG ' ' A' ' 833' ' ' PHE . 46.0 p90 -69.82 -31.43 69.3 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 114.891 -1.05 . . . . 25.0 112.454 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -94.0 -18.44 21.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 16.0 t -110.9 19.14 18.83 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.54 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 9.1 p90 -55.55 163.9 1.18 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.033 -0.985 . . . . 25.0 113.385 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 48.1 t -93.31 131.16 38.7 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.72 -0.673 . . . . 25.0 110.622 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 60.3 p -87.83 17.6 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.819 0.818 . . . . 25.0 108.8 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -134.92 150.49 50.42 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.73 143.81 55.64 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.841 -1.072 . . . . 25.0 111.745 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . 0.407 ' CD1' ' HB1' ' A' ' 862' ' ' ALA . 2.4 p90 -36.34 -46.52 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 115.99 1.848 . . . . 25.0 115.99 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 76.13 -161.73 52.16 Favored Glycine 0 C--O 1.228 -0.281 0 N-CA-C 111.002 -0.839 . . . . 25.0 111.002 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -151.95 149.77 29.28 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 104.113 -2.551 . . . . 25.0 104.113 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 25.0 t -150.85 166.04 31.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.445 -0.576 . . . . 25.0 109.445 -176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.78 -30.31 59.07 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 61.4 tp . . . . . 0 C--O 1.253 1.289 0 CA-C-O 116.261 -1.828 . . . . 25.0 106.813 178.852 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.38 -0.688 . . . . 25.0 111.38 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 69.0 m -98.81 142.68 30.04 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 103.116 -2.92 . . . . 25.0 103.116 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 6.0 m -63.43 -123.88 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 117.467 2.395 . . . . 25.0 117.467 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 145.75 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 O-C-N 120.902 -1.123 . . . . 25.0 111.585 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 84.3 p -97.88 164.43 12.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.146 0.498 . . . . 25.0 110.231 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -31.69 72.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.124 -0.489 . . . . 25.0 111.227 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.74 -35.55 33.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.285 -0.566 . . . . 25.0 110.627 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -60.08 -42.68 95.12 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 121.127 0.489 . . . . 25.0 110.302 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.623 ' HE2' HG21 ' A' ' 813' ' ' ILE . 3.9 ptp -73.45 -21.04 60.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.19 -0.671 . . . . 25.0 109.19 -177.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.93 -39.91 20.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.24 -175.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.97 -38.03 54.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.405 -0.961 . . . . 25.0 108.405 177.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 53.2 t80 -69.83 -25.5 63.78 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.553 0.946 . . . . 25.0 113.553 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.46 64.76 Favored 'General case' 0 C--O 1.207 -1.182 0 O-C-N 120.974 -1.079 . . . . 25.0 109.062 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -71.57 -19.99 62.08 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 118.256 0.48 . . . . 25.0 109.836 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 4.3 t -63.1 -15.68 57.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.865 0.364 . . . . 25.0 110.566 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -23.36 31.0 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.014 1.116 . . . . 25.0 114.014 173.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -112.93 -15.97 12.78 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 120.713 0.292 . . . . 25.0 111.409 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -62.53 -51.31 67.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -104.01 1.28 30.91 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.24 -0.436 . . . . 25.0 111.856 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.425 ' HA ' HD13 ' A' ' 766' ' ' LEU . 14.6 t0 -55.32 103.17 0.08 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.715 1.245 . . . . 50.0 113.225 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.435 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 77.1 ttt180 -55.87 -30.88 62.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.013 -1.903 . . . . 25.0 113.504 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -121.74 -0.64 9.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.583 -0.281 . . . . 50.0 111.54 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 58.58 36.23 25.02 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 75.2 p -74.26 -9.31 58.48 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.7 0.63 . . . . 25.0 112.7 176.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 88.16 15.36 60.88 Favored Glycine 0 C--O 1.229 -0.173 0 N-CA-C 108.607 -1.797 . . . . 25.0 108.607 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -156.91 136.29 12.13 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 107.446 -1.316 . . . . 25.0 107.446 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.482 ' HB2' ' HZ ' ' A' ' 812' ' ' PHE . 4.6 mm? -88.55 141.71 28.3 Favored 'General case' 0 C--O 1.206 -1.237 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . 0.505 ' H ' ' CD ' ' A' ' 770' ' ' GLU . . . -91.77 -167.42 40.39 Favored Glycine 0 C--O 1.207 -1.564 0 N-CA-C 107.127 -2.389 . . . . 25.0 107.127 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -64.03 -62.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.6 0 CA-C-N 120.138 1.969 . . . . 25.0 113.691 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -64.26 -16.99 63.17 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.675 0.75 . . . . 25.0 110.579 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 767' ' ' GLY . 5.3 mt-10 -87.6 -47.01 9.04 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.876 -0.602 . . . . 50.0 111.089 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.661 ' CD2' HG11 ' A' ' 807' ' ' VAL . 1.3 t80 -64.87 -31.48 72.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.914 -1.116 . . . . 25.0 110.399 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -21.91 62.75 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -84.74 -34.85 22.78 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.59 -49.56 76.12 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.415 HD11 ' CZ ' ' A' ' 771' ' ' PHE . 10.0 mt -60.81 -18.21 54.13 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 115.752 1.76 . . . . 25.0 115.752 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.59 -39.6 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 66.5 m -76.79 -8.29 57.03 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.384 -0.825 . . . . 25.0 112.379 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.07 -15.72 16.65 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.806 -0.634 . . . . 25.0 110.252 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 93.93 51.91 2.02 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 118.947 -1.597 . . . . 25.0 111.375 177.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.59 158.07 30.78 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 118.28 2.696 . . . . 25.0 118.28 -176.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . 0.449 ' H ' ' HZ ' ' A' ' 815' ' ' PHE . 30.2 t0 -84.46 10.85 9.75 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.985 1.714 . . . . 25.0 111.967 -176.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.3 171.16 18.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.21 -0.904 . . . . 25.0 108.625 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -151.06 -165.39 12.8 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.651 -0.979 . . . . 25.0 110.651 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -85.61 48.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.351 0.596 . . . . 25.0 110.526 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -120.33 152.41 54.89 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -67.68 -21.96 44.54 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 117.943 -0.905 . . . . 25.0 111.357 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.36 -46.66 59.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.284 -1.006 . . . . 25.0 108.284 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -68.69 -31.22 73.07 Favored Glycine 0 C--O 1.205 -1.657 0 C-N-CA 120.773 -0.727 . . . . 25.0 112.408 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -63.66 -30.25 71.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 118.138 0.969 . . . . 25.0 110.571 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -73.76 -40.6 63.37 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -71.46 -36.04 71.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.089 -0.959 . . . . 25.0 109.779 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.95 98.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 177.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.01 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.2 -0.296 . . . . 25.0 110.2 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -65.99 -43.06 88.89 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.449 176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.68 -44.33 89.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.53 43.35 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.51 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 35.6 t -84.17 -18.42 36.76 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 113.721 1.008 . . . . 25.0 113.721 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 24.1 pt -95.26 -22.34 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.822 -0.549 . . . . 25.0 111.062 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.568 ' HB ' ' HB1' ' A' ' 811' ' ' ALA . 36.0 m -93.94 19.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -115.7 62.8 2.0 Allowed Pre-proline 0 CA--C 1.543 0.698 0 O-C-N 121.619 -0.675 . . . . 25.0 109.941 169.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.65 -9.44 26.14 Favored 'Trans proline' 0 C--N 1.355 0.902 0 CA-C-O 121.642 0.601 . . . . 25.0 112.581 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -98.97 -2.26 37.86 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 106.977 -1.49 . . . . 25.0 106.977 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 53.3 37.42 25.27 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.11 1.364 . . . . 25.0 114.169 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.43 -10.85 23.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.983 -1.462 . . . . 25.0 110.591 176.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 73.07 24.01 76.64 Favored Glycine 0 N--CA 1.462 0.403 0 CA-C-O 121.754 0.641 . . . . 25.0 113.708 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.28 163.83 36.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 1 N-CA-C 100.146 -4.02 . . . . 25.0 100.146 177.255 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.661 HG11 ' CD2' ' A' ' 771' ' ' PHE . 97.7 t -97.97 116.68 41.25 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.31 1 CA-C-O 81.093 -18.575 . . . . 25.0 116.808 -167.612 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' ' 811' ' ' ALA . 0.7 OUTLIER -117.59 178.78 4.27 Favored 'General case' 0 C--N 1.261 -3.281 2 O-C-N 77.812 -28.055 . . . . 25.0 102.146 -160.232 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.3 OUTLIER -48.89 -41.37 33.2 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 115.179 1.548 . . . . 25.0 115.179 176.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -15.5 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.283 0.563 . . . . 25.0 110.24 -177.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 799' ' ' VAL . . . -91.56 -39.65 11.79 Favored 'General case' 0 C--O 1.209 -1.05 0 CA-C-N 115.391 -0.822 . . . . 25.0 111.098 -176.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.636 ' CE1' ' HD2' ' A' ' 771' ' ' PHE . 61.9 m-85 -54.25 -32.08 55.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.065 -0.971 . . . . 25.0 112.531 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.623 HG21 ' HE2' ' A' ' 748' ' ' MET . 13.3 mm -57.1 -34.77 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.541 0.686 . . . . 25.0 110.355 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -46.59 -51.6 15.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.695 -1.139 . . . . 25.0 110.247 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.449 ' HZ ' ' H ' ' A' ' 781' ' ' ASP . 2.8 t80 -71.39 -42.62 68.15 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 120.418 -0.513 . . . . 25.0 111.201 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.479 ' HG3' ' CD2' ' A' ' 751' ' ' PHE . 0.0 OUTLIER -54.62 -33.12 60.0 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 34.4 t -79.49 -19.87 48.66 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 120.252 -1.53 . . . . 25.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -79.01 -21.6 46.72 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.0 -4.91 1.15 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.188 1.395 . . . . 25.0 113.091 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.6 p -76.25 -6.64 52.32 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.49 -0.756 . . . . 25.0 110.156 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -104.91 148.19 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -89.53 157.0 18.26 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.532 0.938 . . . . 25.0 113.532 -175.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.04 163.74 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.17 -0.923 . . . . 25.0 111.372 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.6 -38.78 78.71 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.656 1.217 . . . . 25.0 109.736 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 7.0 p -75.4 -18.07 60.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.772 -1.104 . . . . 25.0 112.042 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -69.59 -19.34 63.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.768 0.318 . . . . 25.0 110.876 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -59.12 -38.31 79.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -177.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.54 -29.61 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 109.52 -0.548 . . . . 25.0 109.52 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 98.8 mtp -64.63 -9.68 21.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.408 0.521 . . . . 25.0 112.408 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -61.4 -20.92 63.61 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.641 -0.662 . . . . 25.0 111.325 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -59.16 -26.3 64.65 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.313 0.578 . . . . 25.0 111.16 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.98 -23.37 66.57 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . 0.404 ' HD2' ' CE1' ' A' ' 879' ' ' TYR . 7.4 tptt -72.37 -36.44 68.74 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.187 -0.946 . . . . 25.0 108.823 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.34 -42.53 93.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.24 -46.83 88.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.251 -0.431 . . . . 25.0 111.589 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.67 91.65 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.698 0.761 . . . . 25.0 110.019 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 77.74 -87.79 1.05 Allowed Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.739 -0.743 . . . . 25.0 111.775 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.02 -16.83 11.6 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 16.3 ptmt -76.1 154.1 35.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 25.0 110.774 -173.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -81.22 -5.27 57.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.973 1.101 . . . . 25.0 113.973 -176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . 0.437 ' CD1' ' HB1' ' A' ' 876' ' ' ALA . 34.6 p90 -147.18 164.17 34.0 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 5.7 tp -115.14 148.17 18.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 82.1 p -88.85 150.98 22.63 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.87 -1.53 . . . . 25.0 106.87 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 49.8 mtt -55.18 -30.84 60.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.973 0.416 . . . . 25.0 111.143 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -68.43 -37.11 79.96 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 115.818 -0.628 . . . . 25.0 111.691 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.07 -35.05 78.99 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.016 -0.428 . . . . 25.0 109.964 178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.78 -42.13 74.2 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -75.49 16.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.594 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 27.1 ttp85 -107.12 -32.41 7.84 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.1 -28.46 12.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.097 -0.956 . . . . 25.0 109.879 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 857' ' ' ALA . 0.0 OUTLIER -114.24 84.54 9.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.243 -0.28 . . . . 25.0 110.243 176.244 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -63.8 -22.84 69.26 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 C-N-CA 113.452 -3.899 . . . . 25.0 117.148 167.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -81.79 -168.43 0.61 Allowed 'Trans proline' 0 C--N 1.367 1.531 0 N-CA-C 116.139 1.553 . . . . 25.0 116.139 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.12 -26.3 6.42 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.386 1.254 . . . . 25.0 114.386 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -57.06 -31.21 64.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.391 -0.193 . . . . 25.0 110.518 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -64.42 -46.86 81.38 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.477 -0.764 . . . . 25.0 111.349 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.42 -30.96 57.64 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 119.909 -0.716 . . . . 25.0 112.773 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.86 -51.6 60.44 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 170.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.25 -42.51 93.23 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-N 115.993 -0.549 . . . . 25.0 110.983 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.4 -40.35 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 122.746 0.419 . . . . 25.0 110.389 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -63.62 -43.65 96.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.181 0.515 . . . . 25.0 111.676 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -77.8 -18.06 56.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.905 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.581 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 5.3 ttm -72.82 147.97 44.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.601 1.334 . . . . 25.0 114.601 -175.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -70.14 139.85 87.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.021 -0.536 . . . . 25.0 110.993 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.29 92.89 1.1 Allowed 'Trans proline' 0 C--O 1.234 0.301 1 C-N-CA 125.97 4.446 . . . . 25.0 114.614 -175.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 0.9 OUTLIER -88.64 115.92 26.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.414 1.102 . . . . 25.0 113.794 -178.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 70.7 p -133.24 149.39 51.98 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.205 -2.146 . . . . 25.0 105.205 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 156.2 -172.48 34.07 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 109.275 -1.53 . . . . 25.0 109.275 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -74.75 -26.92 10.99 Favored 'Trans proline' 0 CA--C 1.534 0.475 0 CA-C-N 119.454 1.627 . . . . 25.0 114.922 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -87.18 -28.58 22.33 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.771 1.272 . . . . 25.0 108.552 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 7.0 m -80.28 158.7 26.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 113.843 -1.526 . . . . 25.0 111.083 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.22 162.18 45.5 Favored Pre-proline 0 CA--C 1.484 -1.581 0 N-CA-C 106.994 -1.484 . . . . 25.0 106.994 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.22 130.79 26.45 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 114.048 -3.501 . . . . 25.0 107.845 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 91.69 32.24 8.77 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 120.772 -0.728 . . . . 25.0 112.033 -173.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 842' ' ' TYR . . . -112.86 136.64 52.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.94 -1.134 . . . . 25.0 107.94 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.0 mt -141.93 154.3 44.98 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 112.278 0.473 . . . . 25.0 112.278 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.446 ' HB2' ' CE1' ' A' ' 867' ' ' TYR . 18.5 t0 -87.74 108.84 19.31 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.467 0.651 . . . . 25.0 111.874 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' A' ' 834' ' ' LYS . 33.0 p90 -64.27 -34.83 79.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.705 -1.134 . . . . 25.0 112.276 -178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -98.67 -19.28 17.61 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.005 1.483 . . . . 25.0 115.005 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 11.2 t -108.84 18.91 20.24 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.004 0.431 . . . . 25.0 110.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.581 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 -53.14 158.95 1.37 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.048 1.129 . . . . 25.0 114.048 177.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.0 t -89.01 107.8 19.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.61 -0.723 . . . . 25.0 112.822 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 24.0 p -72.32 -16.68 61.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 173.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -86.38 13.11 8.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.819 -0.628 . . . . 25.0 110.464 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 5.9 mp 64.15 179.76 0.17 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.298 1.039 . . . . 25.0 113.155 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -68.42 -16.54 63.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 114.975 1.472 . . . . 25.0 114.975 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 61.65 47.01 93.03 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 115.159 0.824 . . . . 25.0 115.159 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.18 -40.86 86.63 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.142 1.164 . . . . 25.0 114.142 -177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 78.8 p -159.16 172.4 18.15 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.177 -0.327 . . . . 25.0 111.706 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 7.4 t0 60.2 42.78 14.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.823 1.249 . . . . 25.0 113.144 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--O 1.255 1.367 0 CA-C-O 116.416 -1.755 . . . . 25.0 107.734 178.729 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.004 0 CA-C-O 119.031 -0.871 . . . . 25.0 113.064 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 8.6 m 46.31 39.35 6.21 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 117.583 2.438 . . . . 25.0 117.583 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 42.3 m -132.39 150.52 52.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.23 1.014 . . . . 25.0 113.568 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.23 147.81 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.61 -1.256 . . . . 25.0 107.61 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . 0.53 ' H ' ' HB3' ' A' ' 854' ' ' PRO . 7.4 t -97.54 167.02 11.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.344 0.592 . . . . 25.0 110.477 176.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -30.14 71.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 25.0 109.748 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 28.5 mp0 -75.95 -40.85 53.15 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 110.252 -0.277 . . . . 25.0 110.252 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -59.66 -40.78 88.87 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 120.822 0.344 . . . . 25.0 110.617 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . 0.416 ' HE2' HG21 ' A' ' 813' ' ' ILE . 5.1 ptp -74.21 -21.41 59.82 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 -178.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.91 -30.47 26.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.359 0.503 . . . . 25.0 112.359 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.47 -39.51 18.83 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.49 -0.756 . . . . 25.0 109.701 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 72.4 t80 -67.87 -25.48 65.54 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.304 0.853 . . . . 25.0 113.304 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -19.65 46.79 Favored 'General case' 0 C--O 1.198 -1.622 0 O-C-N 121.474 -0.767 . . . . 25.0 110.181 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.56 60.7 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 119.188 0.904 . . . . 25.0 110.046 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 5.6 t -62.14 -15.77 48.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.257 0.551 . . . . 25.0 109.869 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.66 -24.05 54.59 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 174.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -108.81 -6.08 15.99 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 120.746 0.308 . . . . 25.0 110.846 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -70.93 -54.43 11.41 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.559 0.577 . . . . 25.0 112.559 -174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . 0.42 ' CG ' ' HA ' ' A' ' 774' ' ' CYS . 3.4 m-85 -103.19 4.2 36.55 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 112.071 0.397 . . . . 25.0 112.071 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 766' ' ' LEU . 14.9 t0 -56.09 100.8 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 122.935 1.35 . . . . 50.0 112.171 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.573 ' HD3' ' HG2' ' A' ' 770' ' ' GLU . 63.5 ttt180 -60.48 -33.76 73.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 112.771 -2.013 . . . . 25.0 112.998 -171.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -115.62 1.49 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.634 -0.506 . . . . 50.0 109.634 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . 0.256 31.8 p-80 51.72 33.21 10.61 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.533 1.679 . . . . 25.0 115.533 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 55.1 p -64.62 -17.27 63.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.867 0.867 . . . . 25.0 112.594 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 98.85 11.47 46.56 Favored Glycine 0 CA--C 1.507 -0.445 0 N-CA-C 108.346 -1.901 . . . . 25.0 108.346 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.3 p -154.34 138.91 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.32 -0.992 . . . . 25.0 108.32 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 759' ' ' ASP . 4.3 mm? -89.13 125.54 35.08 Favored 'General case' 0 C--O 1.195 -1.779 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -81.11 -167.74 38.56 Favored Glycine 0 C--O 1.194 -2.396 0 N-CA-C 109.054 -1.619 . . . . 25.0 109.054 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -61.11 -60.98 0.19 Allowed 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-N 120.921 2.361 . . . . 25.0 114.192 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.51 -16.82 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.927 0.87 . . . . 25.0 110.394 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 760' ' ' ARG . 13.7 mt-10 -87.84 -45.66 10.1 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.931 -0.577 . . . . 50.0 109.853 178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.472 ' CG ' HG21 ' A' ' 807' ' ' VAL . 28.6 t80 -58.13 -41.19 83.12 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.744 0.818 . . . . 25.0 111.447 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -25.27 68.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.2 -33.63 22.22 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -176.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 758' ' ' PHE . 43.4 t -62.32 -46.31 89.31 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 122.035 0.921 . . . . 25.0 108.936 177.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.3 -19.03 53.48 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 116.422 2.008 . . . . 25.0 116.422 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.97 -38.98 83.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 48.8 m -77.54 -9.19 58.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.01 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.06 -15.31 19.07 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.797 -0.446 . . . . 25.0 109.797 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 85.89 51.27 3.65 Favored Glycine 0 C--O 1.226 -0.365 0 C-N-CA 118.458 -1.829 . . . . 25.0 110.165 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.2 164.81 4.94 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.648 2.092 . . . . 25.0 116.648 178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -98.0 17.71 17.68 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.853 0.835 . . . . 25.0 111.173 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.18 175.12 11.59 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 CA-C-N 114.842 -1.072 . . . . 25.0 108.864 176.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -152.41 -173.73 22.24 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 105.321 -3.111 . . . . 25.0 105.321 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.17 7.62 13.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.285 1.042 . . . . 25.0 110.136 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.38 153.49 76.0 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.083 -0.962 . . . . 25.0 108.594 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.82 -23.89 41.06 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 116.599 -1.801 . . . . 25.0 112.055 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -50.01 41.0 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 174.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -66.49 -34.92 89.19 Favored Glycine 0 C--O 1.204 -1.75 0 C-N-CA 120.396 -0.907 . . . . 25.0 114.265 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 118.311 1.055 . . . . 25.0 110.445 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -75.37 -40.86 57.63 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.37 -0.974 . . . . 25.0 108.37 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.73 -34.38 69.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.549 -0.751 . . . . 25.0 110.028 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.411 ' HA ' HD12 ' A' ' 795' ' ' ILE . 0.0 OUTLIER -60.91 -44.13 97.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 175.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.81 72.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.689 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -60.86 -42.11 97.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 175.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 792' ' ' PHE . 10.6 mt -72.06 -40.49 67.17 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -28.57 24.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.512 . . . . 25.0 110.75 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 23.2 t -77.86 -33.19 52.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.87 -0.605 . . . . 25.0 111.619 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 11.4 pt -84.19 -23.75 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.589 -0.694 . . . . 25.0 111.632 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 807' ' ' VAL . 30.7 m -91.6 20.26 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.909 0.861 . . . . 25.0 110.207 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -122.83 61.1 15.97 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.459 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.64 -1.98 8.5 Favored 'Trans proline' 0 C--N 1.348 0.509 0 N-CA-C 114.867 1.064 . . . . 25.0 114.867 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.23 -3.32 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 39.52 20.86 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.238 1.015 . . . . 25.0 112.287 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.513 HD13 HG23 ' A' ' 806' ' ' VAL . 0.2 OUTLIER -107.06 -8.34 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.47 -0.786 . . . . 25.0 112.09 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 79.36 23.39 63.07 Favored Glycine 0 N--CA 1.459 0.226 0 C-N-CA 121.217 -0.516 . . . . 25.0 113.947 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.513 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -142.58 153.03 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.527 -0.545 . . . . 25.0 109.527 -178.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 799' ' ' VAL . 48.7 t -97.44 127.09 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.559 0 CA-C-O 121.255 0.55 . . . . 25.0 110.239 -175.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 169.91 8.35 Favored 'General case' 0 C--O 1.198 -1.613 0 CA-C-N 115.547 -0.751 . . . . 25.0 111.575 -178.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.5 OUTLIER -49.12 -45.37 43.43 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.327 1.232 . . . . 25.0 114.327 179.611 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.59 -18.91 62.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.162 0.506 . . . . 25.0 110.384 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -85.61 -36.96 20.04 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 115.67 -0.696 . . . . 25.0 110.972 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.445 ' HD2' ' HA ' ' A' ' 809' ' ' PHE . 70.3 m-85 -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.911 -0.586 . . . . 25.0 112.065 -179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.416 HG21 ' HE2' ' A' ' 748' ' ' MET . 9.6 mm -62.45 -31.29 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-O 121.42 0.629 . . . . 25.0 110.381 -176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -44.63 -54.04 6.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.391 -1.277 . . . . 25.0 109.51 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . 0.441 ' HA ' ' HG3' ' A' ' 818' ' ' ARG . 2.1 t80 -72.54 -42.03 65.15 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.655 -0.418 . . . . 25.0 111.996 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -29.29 35.24 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 115.534 1.679 . . . . 25.0 115.534 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 37.4 t -84.63 -20.07 31.96 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 120.379 -1.451 . . . . 25.0 111.142 176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . 0.441 ' HG3' ' HA ' ' A' ' 815' ' ' PHE . 5.2 mtm105 -71.97 -21.74 61.54 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 121.376 0.608 . . . . 25.0 109.914 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.564 ' HB3' HE22 ' A' ' 856' ' ' GLN . 2.8 tp10 -49.75 -22.79 1.51 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.367 1.867 . . . . 25.0 114.113 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 73.8 p -72.32 -2.13 17.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -105.16 158.82 16.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.886 0.475 . . . . 25.0 111.182 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -71.46 141.35 50.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.48 158.96 43.22 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.63 -0.259 . . . . 25.0 111.326 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -67.64 -46.48 72.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.381 1.086 . . . . 25.0 109.775 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 19.8 p -64.15 -21.81 66.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.666 -1.152 . . . . 25.0 112.016 177.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.467 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -55.68 -25.53 40.17 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.95 1.093 . . . . 25.0 113.95 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.77 -33.13 72.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.748 0.785 . . . . 25.0 110.622 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -74.56 -37.69 62.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.19 -0.459 . . . . 25.0 111.857 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 826' ' ' ALA . 12.6 p -80.87 -36.34 15.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.314 -0.555 . . . . 25.0 111.123 -175.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 5.6 ppp? -66.86 -13.18 61.34 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.232 0.539 . . . . 25.0 110.942 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -59.28 -19.56 47.08 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 92.8 p -56.0 -28.93 59.35 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 122.855 0.462 . . . . 25.0 112.041 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.25 -27.13 68.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 118.412 0.551 . . . . 25.0 111.7 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -36.02 69.73 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.734 -0.839 . . . . 25.0 108.734 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.33 -39.05 63.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.815 -1.55 . . . . 25.0 106.815 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -45.92 92.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.122 -0.945 . . . . 25.0 111.325 178.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -69.54 -42.93 73.94 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.745 0.783 . . . . 25.0 109.282 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 82.83 -86.32 1.48 Allowed Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.346 -0.702 . . . . 25.0 111.346 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -114.98 -21.76 9.91 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.528 0.936 . . . . 25.0 113.528 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 14.4 ptmt -73.69 155.78 38.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.963 0.411 . . . . 25.0 110.294 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -85.53 -5.1 59.32 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 112.796 0.665 . . . . 25.0 112.796 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -140.89 162.72 34.79 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 106.774 -1.565 . . . . 25.0 106.774 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . 0.496 HG13 ' HB2' ' A' ' 847' ' ' GLU . 3.3 tp -116.65 149.42 18.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 105.59 -2.004 . . . . 25.0 105.59 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 63.4 p -89.32 155.76 19.15 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 60.3 mtt -57.37 -34.28 68.68 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -67.51 -29.59 69.04 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.281 -0.872 . . . . 25.0 112.159 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.496 ' HB2' HG13 ' A' ' 843' ' ' ILE . 15.8 mt-10 -72.52 -36.03 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 122.168 -0.333 . . . . 25.0 110.651 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 68.1 mt -68.27 -41.4 81.1 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.93 31.74 0.17 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.329 0.651 . . . . 25.0 111.128 177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . 0.419 HH11 ' HG2' ' A' ' 847' ' ' GLU . 0.5 OUTLIER -129.16 -32.7 2.01 Favored 'General case' 0 CA--C 1.49 -1.351 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 -176.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.504 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 17.3 pt-20 -101.79 -22.34 14.4 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.174 -1.376 . . . . 25.0 108.546 177.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.504 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 4.8 mt -122.12 86.79 47.26 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.044 0.537 . . . . 25.0 111.951 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -63.61 -25.05 69.49 Favored 'Trans proline' 0 CA--C 1.577 2.662 0 C-N-CA 114.172 -3.419 . . . . 25.0 117.652 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.53 ' HB3' ' H ' ' A' ' 744' ' ' SER . 56.2 Cg_endo -77.25 -170.77 0.99 Allowed 'Trans proline' 0 C--N 1.364 1.367 0 N-CA-C 115.639 1.361 . . . . 25.0 115.639 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -69.45 0.42 5.21 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 113.08 0.77 . . . . 25.0 113.08 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . 0.564 HE22 ' HB3' ' A' ' 819' ' ' GLU . 18.8 mm-40 -61.1 -30.37 70.31 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.439 -2.06 . . . . 25.0 105.439 173.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.82 68.57 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 121.894 -0.504 . . . . 25.0 111.527 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -35.95 81.74 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 120.21 -0.596 . . . . 25.0 110.428 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -52.78 63.93 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 99.6 m -62.87 -43.24 99.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.132 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.79 -40.25 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 122.778 0.431 . . . . 25.0 110.56 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.1 0.778 . . . . 25.0 113.1 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -9.0 58.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.074 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 2.9 ttm -80.68 152.43 28.43 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.458 -0.776 . . . . 25.0 112.838 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -75.89 143.35 74.33 Favored Pre-proline 0 C--O 1.215 -0.712 0 O-C-N 122.024 -0.423 . . . . 25.0 111.596 -175.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.86 93.0 1.11 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 125.232 3.955 . . . . 25.0 115.103 -173.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.401 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.1 m-85 -91.22 115.46 28.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.312 1.053 . . . . 25.0 113.194 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 75.3 p -133.15 164.59 26.69 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 152.51 -179.98 28.56 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 109.431 -1.467 . . . . 25.0 109.431 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.39 -30.36 12.71 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 121.574 1.516 . . . . 25.0 114.997 -179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -91.0 -10.09 43.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 122.156 0.979 . . . . 25.0 109.226 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 16.2 m -83.35 164.41 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.652 -1.158 . . . . 25.0 110.294 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.7 m -115.89 157.55 44.52 Favored Pre-proline 0 C--N 1.314 -0.938 0 N-CA-C 106.041 -1.837 . . . . 25.0 106.041 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.65 58.93 4.79 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.378 2.052 . . . . 25.0 113.272 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 164.6 45.16 0.02 OUTLIER Glycine 0 C--O 1.219 -0.797 0 N-CA-C 107.978 -2.049 . . . . 25.0 107.978 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.82 136.6 52.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 8.2 mt -141.73 149.68 40.82 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 111.419 0.155 . . . . 25.0 111.419 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 25.3 t0 -86.97 110.4 20.01 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.759 -0.588 . . . . 25.0 110.872 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -67.23 -37.43 83.55 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.205 -0.907 . . . . 25.0 111.253 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.12 -31.82 17.81 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.097 1.147 . . . . 25.0 114.097 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.7 t -99.69 20.11 14.66 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.04 0.447 . . . . 25.0 110.656 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 11.8 p90 -48.35 159.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.075 1.139 . . . . 25.0 114.075 175.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 47.7 t -79.43 122.88 26.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.583 -0.735 . . . . 25.0 110.339 -178.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 56.0 p -75.48 -12.3 60.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.38 132.73 37.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.246 -1.39 . . . . 25.0 107.246 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.58 155.19 33.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.165 -0.925 . . . . 25.0 109.955 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -64.92 33.87 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 117.229 2.307 . . . . 25.0 117.229 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . -86.84 -16.42 61.45 Favored Glycine 0 C--O 1.226 -0.347 0 O-C-N 121.609 -0.682 . . . . 25.0 112.535 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 56.49 -161.29 0.2 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.882 0.873 . . . . 25.0 111.959 -178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 91.7 p -156.54 169.31 24.94 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.795 -0.446 . . . . 25.0 109.795 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.3 -28.81 47.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.676 0.75 . . . . 25.0 109.65 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 C--O 1.254 1.325 0 CA-C-O 115.97 -1.967 . . . . 25.0 106.424 -179.422 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 118.712 -1.049 . . . . 25.0 111.429 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' SER . . . . . . . . . . . . . 13.5 m -112.94 9.98 18.88 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 113.788 1.033 . . . . 25.0 113.788 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' SER . . . . . . . . . . . . . 2.3 p -72.63 -28.38 62.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.341 1.067 . . . . 25.0 110.379 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 816' ' ' MET . 0.4 OUTLIER -66.26 143.17 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.978 -1.01 . . . . 25.0 108.537 176.362 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' SER . . . . . . . . . . . . . 41.8 m -88.01 160.2 17.97 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.725 -0.61 . . . . 25.0 110.204 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.17 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.699 -0.682 . . . . 25.0 110.641 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -82.85 -39.65 21.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 119.585 -0.245 . . . . 25.0 110.621 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' GLN . . . . . 0.46 ' HB2' ' HD3' ' A' ' 854' ' ' PRO . 40.7 tp60 -57.64 -41.11 80.74 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.346 0.593 . . . . 25.0 110.138 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' MET . . . . . . . . . . . . . 4.7 ptp -74.35 -21.05 59.87 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 121.706 -0.621 . . . . 25.0 109.336 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -33.39 23.48 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.946 -0.302 . . . . 25.0 111.132 -175.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -81.97 -36.92 27.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 812' ' ' PHE . 33.6 t80 -69.94 -27.22 64.57 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' ARG . . . . . 0.673 ' O ' ' HB3' ' A' ' 755' ' ' PHE . 5.7 ppt_? -66.11 -12.72 57.49 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.691 -1.226 . . . . 25.0 107.691 176.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' ALA . . . . . . . . . . . . . . . -72.62 -18.78 61.56 Favored 'General case' 0 CA--C 1.473 -2.011 0 O-C-N 118.831 -2.418 . . . . 25.0 110.781 173.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -19.78 65.93 Favored 'General case' 1 C--O 1.061 -8.848 0 N-CA-C 117.016 2.228 . . . . 25.0 117.016 177.193 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' PHE . . . . . 0.673 ' HB3' ' O ' ' A' ' 752' ' ' ARG 0.322 0.0 OUTLIER -43.24 -37.35 2.12 Favored 'General case' 0 C--O 1.286 3.025 0 C-N-CA 129.054 2.942 . . . . 25.0 112.714 163.764 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -112.01 -15.34 13.31 Favored 'General case' 0 C--N 1.264 -3.131 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -65.3 -54.15 33.41 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.28 2.97 40.36 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.352 0.407 . . . . 25.0 111.48 -177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -55.8 104.62 0.14 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 122.173 0.987 . . . . 50.0 112.717 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' ARG . . . . . 0.498 ' HD2' ' HG2' ' A' ' 770' ' ' GLU . 22.6 ttt-85 -55.36 -31.91 62.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 113.188 -1.824 . . . . 25.0 113.105 -174.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -120.51 -1.91 10.06 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.422 -0.353 . . . . 50.0 111.145 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' HIS . . . . . . . . . . . . . 3.4 t60 60.95 33.91 19.65 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.066 1.506 . . . . 25.0 115.066 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' SER . . . . . . . . . . . . . 71.9 p -73.14 -11.6 60.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 123.685 0.794 . . . . 25.0 112.728 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' GLY . . . . . . . . . . . . . . . 89.56 17.27 55.27 Favored Glycine 0 C--O 1.195 -2.292 0 N-CA-C 104.973 -3.251 . . . . 25.0 104.973 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 1.2 p -158.26 137.8 11.9 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.72 124.89 42.24 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 107.919 -1.141 . . . . 25.0 107.919 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' GLY . . . . . . . . . . . . . . . -82.76 -166.12 38.45 Favored Glycine 0 C--O 1.196 -2.24 0 N-CA-C 109.242 -1.543 . . . . 25.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -61.82 -59.74 0.26 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 CA-C-N 120.843 2.322 . . . . 25.0 115.038 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.9 -17.01 63.91 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.418 1.104 . . . . 25.0 110.046 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.498 ' HG2' ' HD2' ' A' ' 760' ' ' ARG . 10.4 mt-10 -86.27 -47.77 9.12 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.128 -0.942 . . . . 50.0 109.337 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' PHE . . . . . 0.532 ' CG ' HG21 ' A' ' 807' ' ' VAL . 25.1 t80 -57.92 -41.42 82.67 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 123.666 0.786 . . . . 25.0 112.037 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -23.54 67.27 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.688 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -85.61 -35.36 21.04 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 -177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.39 -46.37 90.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.108 0.956 . . . . 25.0 108.744 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 780' ' ' TYR . 13.4 mt -62.04 -18.78 61.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 116.546 2.054 . . . . 25.0 116.546 -177.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.69 -40.71 89.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 37.5 m -77.92 -5.85 52.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.376 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.433 HD12 ' HE2' ' A' ' 816' ' ' MET . 4.5 mm? -107.72 -6.48 16.8 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.774 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' GLY . . . . . . . . . . . . . . . 82.63 50.97 4.48 Favored Glycine 0 C--O 1.228 -0.228 0 C-N-CA 118.711 -1.709 . . . . 25.0 112.68 175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 775' ' ' LEU . 0.0 OUTLIER -66.1 162.96 18.51 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 116.942 2.201 . . . . 25.0 116.942 -179.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -98.92 15.91 24.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.639 -175.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.26 174.99 12.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.204 -0.907 . . . . 25.0 109.783 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' GLY . . . . . . . . . . . . . . . -164.95 -164.28 19.97 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 104.854 -3.299 . . . . 25.0 104.854 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -86.2 18.23 3.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.48 1.14 . . . . 25.0 109.006 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.75 152.53 96.24 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 114.846 -1.07 . . . . 25.0 109.692 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -65.79 -20.64 58.75 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 117.646 -1.103 . . . . 25.0 113.283 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -86.12 -47.51 9.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.152 0.501 . . . . 25.0 109.652 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -69.76 -27.67 72.97 Favored Glycine 0 C--O 1.207 -1.564 0 C-N-CA 120.374 -0.917 . . . . 25.0 115.116 -175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.5 -28.19 69.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 119.163 1.481 . . . . 25.0 110.552 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' ALA . . . . . . . . . . . . . . . -76.18 -41.17 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -70.39 -38.6 74.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.26 -49.06 75.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.572 -1.27 . . . . 25.0 107.572 176.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.77 76.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 25.0 111.679 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -63.09 -40.5 97.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.7 mt -70.03 -43.03 79.56 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.886 0 N-CA-C 108.295 -1.002 . . . . 25.0 108.295 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -23.71 29.84 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.13 0.491 . . . . 25.0 110.855 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.9 t -81.14 -26.51 36.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.306 -0.407 . . . . 25.0 112.048 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.9 pt -94.02 -24.94 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' VAL . . . . . 0.45 HG23 HG22 ' A' ' 807' ' ' VAL . 35.9 m -87.38 24.0 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.558 1.171 . . . . 25.0 109.533 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -125.34 60.1 28.37 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.946 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -70.77 1.67 4.87 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 115.087 1.149 . . . . 25.0 115.087 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -114.34 -4.7 12.96 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 -178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 53.14 40.86 31.92 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.506 1.122 . . . . 25.0 113.673 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' LEU . . . . . 0.428 HD13 HG23 ' A' ' 806' ' ' VAL . 0.1 OUTLIER -98.23 -11.23 22.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.14 -0.936 . . . . 25.0 109.899 178.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' GLY . . . . . . . . . . . . . . . 85.73 22.73 49.03 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.202 -0.454 . . . . 25.0 112.88 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' VAL . . . . . 0.428 HG23 HD13 ' A' ' 804' ' ' LEU . 0.0 OUTLIER -145.06 153.29 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 122.945 0.498 . . . . 25.0 110.117 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' VAL . . . . . 0.532 HG21 ' CG ' ' A' ' 771' ' ' PHE . 46.9 t -91.62 129.24 42.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.425 0.631 . . . . 25.0 109.554 -177.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.59 164.5 12.66 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.42 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' PHE . . . . . 0.503 ' HA ' ' HD2' ' A' ' 812' ' ' PHE . 0.2 OUTLIER -47.27 -44.33 22.99 Favored 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 114.209 1.189 . . . . 25.0 114.209 -179.305 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -18.83 61.63 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 122.023 0.916 . . . . 25.0 110.841 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' ALA . . . . . . . . . . . . . . . -87.24 -38.81 15.99 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 114.73 -1.123 . . . . 25.0 111.338 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' PHE . . . . . 0.52 ' HB3' ' CE2' ' A' ' 751' ' ' PHE . 71.8 m-85 -52.8 -37.34 59.7 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 122.766 1.27 . . . . 25.0 111.413 178.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 13.3 mm -63.32 -32.36 56.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 114.018 -1.446 . . . . 25.0 111.823 -173.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -51.44 -46.02 62.84 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 115.488 -0.778 . . . . 25.0 110.14 177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -71.44 -44.43 64.84 Favored 'General case' 0 C--O 1.201 -1.463 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.433 ' HE2' HD12 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.9 -21.85 65.08 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 116.49 2.033 . . . . 25.0 116.49 -176.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' SER . . . . . . . . . . . . . 17.9 t -80.94 -19.53 43.98 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 120.495 -1.378 . . . . 25.0 109.08 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -72.79 -21.43 60.99 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 116.065 -0.516 . . . . 25.0 110.019 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -54.42 -20.26 7.15 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.233 0.958 . . . . 25.0 111.709 -178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 45.1 p -63.94 -13.31 44.87 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.927 176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' ALA . . . . . . . . . . . . . . . -102.7 125.97 49.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 105.199 -2.148 . . . . 25.0 105.199 174.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -63.95 152.32 40.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.6 158.4 44.52 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 116.203 -0.453 . . . . 25.0 111.963 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.46 -44.67 89.33 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.635 1.207 . . . . 25.0 109.984 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' THR . . . . . . . . . . . . . 14.0 p -72.62 -15.93 61.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.528 -1.214 . . . . 25.0 113.369 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.408 ' HA ' HG12 ' A' ' 829' ' ' VAL . . . -63.31 -23.37 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -175.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.86 -33.54 71.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.728 0.775 . . . . 25.0 110.148 177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -70.53 -40.49 73.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.548 . . . . 25.0 111.921 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 826' ' ' ALA . 8.3 p -77.12 -34.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -176.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' MET . . . . . . . . . . . . . 48.1 mtm -63.85 -14.14 50.7 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' ALA . . . . . . . . . . . . . . . -53.81 -19.4 4.3 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.14 -0.35 . . . . 25.0 111.47 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 80.5 p -52.77 -29.6 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.165 0.586 . . . . 25.0 112.431 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -23.55 66.14 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.221 0.919 . . . . 25.0 112.569 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -37.59 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.97 -1.081 . . . . 25.0 108.839 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.77 -42.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.01 -46.43 90.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.487 -0.324 . . . . 25.0 111.52 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.79 93.96 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.851 0.834 . . . . 25.0 109.074 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 75.82 -90.27 0.87 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.669 -0.776 . . . . 25.0 112.307 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -114.97 -1.01 13.21 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.966 0.728 . . . . 25.0 112.966 -174.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 840' ' ' LYS . 17.8 ptmt -94.46 157.74 15.87 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.744 -0.598 . . . . 25.0 109.921 -177.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -91.4 0.39 57.52 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.53 162.45 36.56 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 105.509 -2.034 . . . . 25.0 105.509 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' ILE . . . . . . . . . . . . . 4.9 tp -114.91 149.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 106.762 -1.57 . . . . 25.0 106.762 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' THR . . . . . . . . . . . . . 74.0 p -89.85 151.64 21.66 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 105.689 -1.967 . . . . 25.0 105.689 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' MET . . . . . . . . . . . . . 59.6 mtt -55.19 -34.37 63.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.094 0.473 . . . . 25.0 109.792 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.25 -22.22 61.27 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.4 -32.59 60.82 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 121.782 -0.574 . . . . 25.0 109.501 177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' LEU . . . . . . . . . . . . . 59.3 mt -71.64 -39.25 70.5 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -79.75 33.95 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.811 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -124.27 -32.4 3.19 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 106.395 -1.706 . . . . 25.0 106.395 -176.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.501 ' HG3' ' HG ' ' A' ' 852' ' ' LEU . 24.4 pt-20 -108.69 -18.97 13.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.763 -1.562 . . . . 25.0 108.283 177.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' LEU . . . . . 0.501 ' HG ' ' HG3' ' A' ' 851' ' ' GLU . 8.7 mt -121.74 81.0 40.81 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.086 -0.506 . . . . 25.0 111.051 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.97 -23.56 74.09 Favored 'Trans proline' 0 CA--C 1.581 2.843 0 C-N-CA 113.426 -3.916 . . . . 25.0 117.765 167.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 747' ' ' GLN . 58.5 Cg_endo -79.9 -170.03 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.568 0 N-CA-C 118.153 2.328 . . . . 25.0 118.153 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.41 -25.51 6.35 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.68 1.192 . . . . 25.0 112.383 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -57.61 -30.92 65.72 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.718 -0.614 . . . . 25.0 112.222 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 852' ' ' LEU . . . -63.39 -48.55 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.264 -0.574 . . . . 25.0 110.148 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.17 -34.48 73.04 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 120.123 -0.631 . . . . 25.0 111.325 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.02 68.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.802 -0.636 . . . . 25.0 109.334 173.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 86.6 m -63.87 -44.11 94.09 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.445 -0.343 . . . . 25.0 110.867 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' ILE . . . . . . . . . . . . . 35.5 mt -60.27 -41.75 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 122.874 0.47 . . . . 25.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.97 92.87 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.016 -0.538 . . . . 25.0 111.412 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -10.15 57.43 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.169 0.433 . . . . 25.0 112.169 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.513 ' HA ' ' HB2' ' A' ' 882' ' ' PHE . 3.1 ttm -80.16 151.88 29.51 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.845 -0.534 . . . . 25.0 111.535 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 878' ' ' ASP . . . -74.27 140.17 76.09 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 120.497 -0.481 . . . . 25.0 110.743 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -76.85 94.88 1.05 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 125.261 3.974 . . . . 25.0 114.9 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 878' ' ' ASP . 1.3 m-85 -93.56 120.35 33.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.966 0.888 . . . . 25.0 113.071 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' THR . . . . . . . . . . . . . 73.0 p -138.52 147.05 42.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' GLY . . . . . . . . . . . . . . . 159.27 178.02 32.9 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 110.027 -1.229 . . . . 25.0 110.027 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -75.71 -21.53 14.49 Favored 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 123.394 2.729 . . . . 25.0 113.648 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -85.18 -23.81 28.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' SER . . . . . . . . . . . . . 66.5 m -90.97 174.93 7.16 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 113.832 -1.531 . . . . 25.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.63 160.19 62.03 Favored Pre-proline 0 CA--C 1.485 -1.537 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.52 134.85 39.95 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 114.777 -3.015 . . . . 25.0 108.376 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' GLY . . . . . . . . . . . . . . . 81.75 43.54 8.29 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 120.335 -0.936 . . . . 25.0 111.958 -174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' ALA . . . . . . . . . . . . . . . -112.92 140.37 47.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' LEU . . . . . . . . . . . . . 7.8 mt -141.96 153.42 44.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.976 0.362 . . . . 25.0 111.976 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' ASP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 865' ' ' ALA . 28.9 t0 -90.07 107.12 18.93 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.689 0.756 . . . . 25.0 110.349 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -68.0 -35.44 78.31 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.28 -1.327 . . . . 25.0 111.509 -177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -92.26 -20.82 20.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.372 1.249 . . . . 25.0 114.372 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 12.1 t -109.54 20.49 18.11 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.03 0.443 . . . . 25.0 110.0 177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 864' ' ' MET . 13.9 p90 -48.16 156.59 0.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 115.051 1.501 . . . . 25.0 115.051 176.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 34.8 t -83.58 111.53 19.18 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.071 1.138 . . . . 25.0 114.071 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' THR . . . . . . . . . . . . . 7.8 t -72.59 -11.28 60.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.717 -0.846 . . . . 25.0 108.717 172.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' ALA . . . . . . . . . . . . . . . -93.38 14.26 19.03 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 123.177 0.591 . . . . 25.0 109.574 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.1 -165.89 0.22 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.272 -0.876 . . . . 25.0 110.464 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -66.39 2.42 1.26 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.953 1.464 . . . . 25.0 114.953 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' GLY . . . . . . . . . . . . . . . 87.63 -173.78 44.07 Favored Glycine 0 N--CA 1.455 -0.088 0 C-N-CA 120.961 -0.638 . . . . 25.0 113.001 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -109.26 -18.82 13.51 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 890' ' ' SER . . . . . . . . . . . . . 75.1 p -156.23 166.96 31.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 891' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -99.55 -0.49 40.42 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.895 0.478 . . . . 25.0 111.234 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.253 1.27 0 CA-C-O 116.886 -1.531 . . . . 25.0 109.441 -178.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 6000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_